Home Other Building Blocks 2-(1-methyl-4-sulfamoyl-1H-pyrrol-2-yl)acetic acid

2-(1-methyl-4-sulfamoyl-1H-pyrrol-2-yl)acetic acid

CAS No.:
1803592-62-2
Catalog Number:
AG01B9L4
Molecular Formula:
C7H10N2O4S
Molecular Weight:
218.2303
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Product Description
Catalog Number:
AG01B9L4
Chemical Name:
2-(1-methyl-4-sulfamoyl-1H-pyrrol-2-yl)acetic acid
CAS Number:
1803592-62-2
Molecular Formula:
C7H10N2O4S
Molecular Weight:
218.2303
MDL Number:
MFCD28505699
IUPAC Name:
2-(1-methyl-4-sulfamoylpyrrol-2-yl)acetic acid
InChI:
InChI=1S/C7H10N2O4S/c1-9-4-6(14(8,12)13)2-5(9)3-7(10)11/h2,4H,3H2,1H3,(H,10,11)(H2,8,12,13)
InChI Key:
QMEROBMSOMCRCV-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(cn1C)S(=O)(=O)N
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.036g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
218.227g/mol
Monoisotopic Mass:
218.036g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  
Properties