Name: Name:1H-Indole-5-carbonitrile, 3-iodo-1-[(4-methylphenyl)sulfonyl]-
Brand: Angene
SKU: AG00IBQF
Rating: 90 (10 reviews)

1H-Indole-5-carbonitrile, 3-iodo-1-[(4-methylphenyl)sulfonyl]-

CAS No.:

676273-39-5

Catalog Number:

AG00IBQF

Molecular Formula:

C16H11IN2O2S

Molecular Weight:

422.2402

Catalog Number:

AG00IBQF

Chemical Name:

1H-Indole-5-carbonitrile, 3-iodo-1-[(4-methylphenyl)sulfonyl]-

CAS Number:

676273-39-5

Molecular Formula:

C16H11IN2O2S

Molecular Weight:

422.2402

MDL Number:

MFCD13177481

IUPAC Name:

3-iodo-1-(4-methylphenyl)sulfonylindole-5-carbonitrile

InChI:

InChI=1S/C16H11IN2O2S/c1-11-2-5-13(6-3-11)22(20,21)19-10-15(17)14-8-12(9-18)4-7-16(14)19/h2-8,10H,1H3

InChI Key:

IUOBIBLYALVHRN-UHFFFAOYSA-N

SMILES:

N#Cc1ccc2c(c1)c(I)cn2S(=O)(=O)c1ccc(cc1)C

Complexity:

556

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

421.959g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

422.24g/mol

Monoisotopic Mass:

421.959g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: