3-(1H-pyrrol-3-ylsulfonylamino)benzoic acid

C11H10N2O4S — CID 43294331

IUPAC3-(1H-pyrrol-3-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2cc[nH]c2)c1
InChIInChI=1S/C11H10N2O4S/c14-11(15)8-2-1-3-9(6-8)13-18(16,17)10-4-5-12-7-10/h1-7,12-13H,(H,14,15)
InChIKeyTVSGTPQIAANXJD-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.51
Rot. Bonds4

About 3-(1H-pyrrol-3-ylsulfonylamino)benzoic acid

3-(1H-pyrrol-3-ylsulfonylamino)benzoic acid (PubChem CID 43294331) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is 3-(1H-pyrrol-3-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name3-(1H-pyrrol-3-ylsulfonylamino)benzoic acid
PubChem CID43294331
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Name3-(1H-pyrrol-3-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2cc[nH]c2)c1
InChIInChI=1S/C11H10N2O4S/c14-11(15)8-2-1-3-9(6-8)13-18(16,17)10-4-5-12-7-10/h1-7,12-13H,(H,14,15)
InChIKeyTVSGTPQIAANXJD-UHFFFAOYSA-N
XLogP1.51
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-iodo-5-(1H-pyrrol-3-ylsulfonylamino)benzoic acid
CID 112750092
3-[(4-chlorophenyl)sulfonylamino]benzoic acid
CID 773554
3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid
CID 2234493
3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid
CID 44669190
3-[(4-nitrophenyl)sulfonylamino]benzoic acid
CID 7938678
3-[(3-iodophenyl)sulfamoyl]benzoic acid
CID 25335262
5-[(3-carboxyphenyl)sulfamoyl]-2-methylbenzoic acid
CID 45407611
3-[[4-[(E)-2-carboxyethenyl]phenyl]sulfonylamino]benzoic acid
CID 673258
3-[(6-chloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 7938689
3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid
CID 106265350
3-[(3-propylphenyl)sulfonylamino]benzoic acid
CID 171621009
3-[(2,4,6-trichlorophenyl)sulfonylamino]benzoic acid
CID 75414770

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrol-3-ylsulfonylamino)benzoic acid?
The IUPAC name of 3-(1H-pyrrol-3-ylsulfonylamino)benzoic acid (CID 43294331) is 3-(1H-pyrrol-3-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 3-(1H-pyrrol-3-ylsulfonylamino)benzoic acid?
The canonical SMILES for 3-(1H-pyrrol-3-ylsulfonylamino)benzoic acid is O=C(O)c1cccc(NS(=O)(=O)c2cc[nH]c2)c1.
What is the InChIKey of 3-(1H-pyrrol-3-ylsulfonylamino)benzoic acid?
The InChIKey is TVSGTPQIAANXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c14-11(15)8-2-1-3-9(6-8)13-18(16,17)10-4-5-12-7-10/h1-7,12-13H,(H,14,15).
What are the key properties of 3-(1H-pyrrol-3-ylsulfonylamino)benzoic acid?
3-(1H-pyrrol-3-ylsulfonylamino)benzoic acid has a molecular weight of 266.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrol-3-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 43294331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).