2-[(3-chlorophenyl)sulfonylamino]-5-ethylbenzoic acid

C15H14ClNO4S — CID 11724797

IUPAC2-[(3-chlorophenyl)sulfonylamino]-5-ethylbenzoic acid
SMILESCCc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c(C(=O)O)c1
InChIInChI=1S/C15H14ClNO4S/c1-2-10-6-7-14(13(8-10)15(18)19)17-22(20,21)12-5-3-4-11(16)9-12/h3-9,17H,2H2,1H3,(H,18,19)
InChIKeyAYUBWTWFAJMPGE-UHFFFAOYSA-N
MW339.80 g/mol
LogP3.40
Rot. Bonds5

About 2-[(3-chlorophenyl)sulfonylamino]-5-ethylbenzoic acid

2-[(3-chlorophenyl)sulfonylamino]-5-ethylbenzoic acid (PubChem CID 11724797) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)sulfonylamino]-5-ethylbenzoic acid.

Molecular Properties

Compound Name2-[(3-chlorophenyl)sulfonylamino]-5-ethylbenzoic acid
PubChem CID11724797
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Name2-[(3-chlorophenyl)sulfonylamino]-5-ethylbenzoic acid
SMILESCCc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c(C(=O)O)c1
InChIInChI=1S/C15H14ClNO4S/c1-2-10-6-7-14(13(8-10)15(18)19)17-22(20,21)12-5-3-4-11(16)9-12/h3-9,17H,2H2,1H3,(H,18,19)
InChIKeyAYUBWTWFAJMPGE-UHFFFAOYSA-N
XLogP3.40
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)sulfonylamino]-5-iodobenzoic acid
CID 45330272
2-[(4-ethylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114828
2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-ethylbenzoic acid
CID 10338417
2-(benzenesulfonamido)-5-(2-methylbutyl)benzoic acid
CID 10337751
N-[2-(3-chlorobenzoyl)-4-methylphenyl]-4-ethylbenzenesulfonamide
CID 70842369
N-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide
CID 91653506
3-chloro-N-[6-(4-ethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046777
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629
3-[[5-chloro-2-[(3-methylphenyl)sulfonylamino]benzoyl]amino]-2-methylpropanoic acid
CID 173373112
N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-ethylbenzenesulfonamide
CID 58979554
2-[(3-chlorophenyl)sulfonylamino]-3,5-dimethoxybenzoic acid
CID 52863453
3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)sulfonylamino]-5-ethylbenzoic acid?
The IUPAC name of 2-[(3-chlorophenyl)sulfonylamino]-5-ethylbenzoic acid (CID 11724797) is 2-[(3-chlorophenyl)sulfonylamino]-5-ethylbenzoic acid.
What is the SMILES notation for 2-[(3-chlorophenyl)sulfonylamino]-5-ethylbenzoic acid?
The canonical SMILES for 2-[(3-chlorophenyl)sulfonylamino]-5-ethylbenzoic acid is CCc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c(C(=O)O)c1.
What is the InChIKey of 2-[(3-chlorophenyl)sulfonylamino]-5-ethylbenzoic acid?
The InChIKey is AYUBWTWFAJMPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c1-2-10-6-7-14(13(8-10)15(18)19)17-22(20,21)12-5-3-4-11(16)9-12/h3-9,17H,2H2,1H3,(H,18,19).
What are the key properties of 2-[(3-chlorophenyl)sulfonylamino]-5-ethylbenzoic acid?
2-[(3-chlorophenyl)sulfonylamino]-5-ethylbenzoic acid has a molecular weight of 339.80 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)sulfonylamino]-5-ethylbenzoic acid is sourced from PubChem (CID 11724797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).