2-[2-(benzenesulfonamido)ethylcarbamoyl]benzoic acid

C16H16N2O5S — CID 113083408

IUPAC2-[2-(benzenesulfonamido)ethylcarbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16N2O5S/c19-15(13-8-4-5-9-14(13)16(20)21)17-10-11-18-24(22,23)12-6-2-1-3-7-12/h1-9,18H,10-11H2,(H,17,19)(H,20,21)
InChIKeyFNFJAZFQOGPCMT-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.09
Rot. Bonds7

About 2-[2-(benzenesulfonamido)ethylcarbamoyl]benzoic acid

2-[2-(benzenesulfonamido)ethylcarbamoyl]benzoic acid (PubChem CID 113083408) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-[2-(benzenesulfonamido)ethylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(benzenesulfonamido)ethylcarbamoyl]benzoic acid
PubChem CID113083408
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name2-[2-(benzenesulfonamido)ethylcarbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16N2O5S/c19-15(13-8-4-5-9-14(13)16(20)21)17-10-11-18-24(22,23)12-6-2-1-3-7-12/h1-9,18H,10-11H2,(H,17,19)(H,20,21)
InChIKeyFNFJAZFQOGPCMT-UHFFFAOYSA-N
XLogP1.09
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-phenylpropylsulfonylamino)ethylcarbamoyl]benzoic acid
CID 113083432
N-[2-(benzenesulfonamido)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 78852520
2-[6-[(2-carboxybenzoyl)amino]hexylcarbamoyl]benzoic acid
CID 3829688
N-[2-(benzenesulfonamido)ethyl]-2-fluoro-4-methoxybenzamide
CID 86922045
N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide
CID 108571471
2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718082
2-[2-(2-methylpropanoylamino)ethylcarbamoyl]benzoic acid
CID 60933200
(2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide
CID 119279110
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
N-[2-(benzenesulfonamido)ethyl]-1,3-benzodioxole-5-carboxamide
CID 108574611
N-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide
CID 108571361
2-[2-(2-ethylbutanoylamino)ethylcarbamoyl]benzoic acid
CID 113083346

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonamido)ethylcarbamoyl]benzoic acid?
The IUPAC name of 2-[2-(benzenesulfonamido)ethylcarbamoyl]benzoic acid (CID 113083408) is 2-[2-(benzenesulfonamido)ethylcarbamoyl]benzoic acid.
What is the SMILES notation for 2-[2-(benzenesulfonamido)ethylcarbamoyl]benzoic acid?
The canonical SMILES for 2-[2-(benzenesulfonamido)ethylcarbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)NCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[2-(benzenesulfonamido)ethylcarbamoyl]benzoic acid?
The InChIKey is FNFJAZFQOGPCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c19-15(13-8-4-5-9-14(13)16(20)21)17-10-11-18-24(22,23)12-6-2-1-3-7-12/h1-9,18H,10-11H2,(H,17,19)(H,20,21).
What are the key properties of 2-[2-(benzenesulfonamido)ethylcarbamoyl]benzoic acid?
2-[2-(benzenesulfonamido)ethylcarbamoyl]benzoic acid has a molecular weight of 348.38 g/mol, XLogP of 1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonamido)ethylcarbamoyl]benzoic acid is sourced from PubChem (CID 113083408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).