2-(phenylcarbamoyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid

C17H13N3O5S2 — CID 90474318

IUPAC2-(phenylcarbamoyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2nccs2)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H13N3O5S2/c21-15(19-11-4-2-1-3-5-11)14-10-12(6-7-13(14)16(22)23)27(24,25)20-17-18-8-9-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23)
InChIKeyQQQLAXPNMMCZEX-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.89
Rot. Bonds6

About 2-(phenylcarbamoyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid

2-(phenylcarbamoyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid (PubChem CID 90474318) has the molecular formula C17H13N3O5S2 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-(phenylcarbamoyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-(phenylcarbamoyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
PubChem CID90474318
Molecular FormulaC17H13N3O5S2
Molecular Weight403.44 g/mol
Exact Mass403.03
IUPAC Name2-(phenylcarbamoyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2nccs2)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H13N3O5S2/c21-15(19-11-4-2-1-3-5-11)14-10-12(6-7-13(14)16(22)23)27(24,25)20-17-18-8-9-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23)
InChIKeyQQQLAXPNMMCZEX-UHFFFAOYSA-N
XLogP2.89
TPSA125.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 28536256
5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 43909921
2-methylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2974593
2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 1220561
2-methoxy-5-piperidin-1-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 43882672
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2225309
2-(2-ethoxyethoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 17122725
(2R,3S)-2,3-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 129360346
1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 59205391
1-benzyl-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 43995915
(Z)-2-methyl-3-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 1308409
1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914201

Frequently Asked Questions

What is the IUPAC name of 2-(phenylcarbamoyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 2-(phenylcarbamoyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid (CID 90474318) is 2-(phenylcarbamoyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-(phenylcarbamoyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2-(phenylcarbamoyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid is O=C(O)c1ccc(S(=O)(=O)Nc2nccs2)cc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-(phenylcarbamoyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid?
The InChIKey is QQQLAXPNMMCZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O5S2/c21-15(19-11-4-2-1-3-5-11)14-10-12(6-7-13(14)16(22)23)27(24,25)20-17-18-8-9-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of 2-(phenylcarbamoyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid?
2-(phenylcarbamoyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid has a molecular weight of 403.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylcarbamoyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 90474318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).