2-(N-(2-chlorophenyl)sulfonylanilino)acetic acid

C14H12ClNO4S — CID 1486714

IUPAC2-(N-(2-chlorophenyl)sulfonylanilino)acetic acid
SMILESO=C(O)CN(c1ccccc1)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H12ClNO4S/c15-12-8-4-5-9-13(12)21(19,20)16(10-14(17)18)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)
InChIKeyMXXXPVOQSPLEHW-UHFFFAOYSA-N
MW325.77 g/mol
LogP2.62
Rot. Bonds5

About 2-(N-(2-chlorophenyl)sulfonylanilino)acetic acid

2-(N-(2-chlorophenyl)sulfonylanilino)acetic acid (PubChem CID 1486714) has the molecular formula C14H12ClNO4S and a molecular weight of 325.77 g/mol. Its IUPAC name is 2-(N-(2-chlorophenyl)sulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(2-chlorophenyl)sulfonylanilino)acetic acid
PubChem CID1486714
Molecular FormulaC14H12ClNO4S
Molecular Weight325.77 g/mol
Exact Mass325.02
IUPAC Name2-(N-(2-chlorophenyl)sulfonylanilino)acetic acid
SMILESO=C(O)CN(c1ccccc1)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H12ClNO4S/c15-12-8-4-5-9-13(12)21(19,20)16(10-14(17)18)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)
InChIKeyMXXXPVOQSPLEHW-UHFFFAOYSA-N
XLogP2.62
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(2,5-dichlorophenyl)sulfonylanilino)acetamide
CID 50889600
2-(N-quinolin-8-ylsulfonylanilino)acetic acid
CID 146018152
2-[N-(2-chlorophenyl)sulfonyl-3-[2-(4-cyanophenyl)ethoxy]anilino]acetic acid
CID 22033484
2-(N-(4-aminophenyl)sulfonylanilino)acetic acid
CID 14423402
2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 50889602
5-[carboxymethyl-(2,5-dichlorophenyl)sulfonylamino]-2-chlorobenzoic acid
CID 50894659
2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60962314
N-(2-aminophenyl)-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43550518
5-[(2-chlorophenyl)sulfonyl-methylamino]pentanoic acid
CID 69317552
2-(N-[3,5-bis(trifluoromethyl)phenyl]sulfonylanilino)acetic acid
CID 1486690
2-[N-naphthalen-1-ylsulfonyl-3-(trifluoromethyl)anilino]acetic acid
CID 86061923
3-(N-(2,4-dichloro-3-methylphenyl)sulfonylanilino)propanoic acid
CID 69334177

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-chlorophenyl)sulfonylanilino)acetic acid?
The IUPAC name of 2-(N-(2-chlorophenyl)sulfonylanilino)acetic acid (CID 1486714) is 2-(N-(2-chlorophenyl)sulfonylanilino)acetic acid.
What is the SMILES notation for 2-(N-(2-chlorophenyl)sulfonylanilino)acetic acid?
The canonical SMILES for 2-(N-(2-chlorophenyl)sulfonylanilino)acetic acid is O=C(O)CN(c1ccccc1)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-(N-(2-chlorophenyl)sulfonylanilino)acetic acid?
The InChIKey is MXXXPVOQSPLEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4S/c15-12-8-4-5-9-13(12)21(19,20)16(10-14(17)18)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18).
What are the key properties of 2-(N-(2-chlorophenyl)sulfonylanilino)acetic acid?
2-(N-(2-chlorophenyl)sulfonylanilino)acetic acid has a molecular weight of 325.77 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-chlorophenyl)sulfonylanilino)acetic acid is sourced from PubChem (CID 1486714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).