2-[N-(benzenesulfonyl)-3-methoxyanilino]acetic acid

C15H15NO5S — CID 743110

IUPAC2-[N-(benzenesulfonyl)-3-methoxyanilino]acetic acid
SMILESCOc1cccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H15NO5S/c1-21-13-7-5-6-12(10-13)16(11-15(17)18)22(19,20)14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,17,18)
InChIKeyNKMFTDDYOPMJGL-UHFFFAOYSA-N
MW321.35 g/mol
LogP1.98
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-3-methoxyanilino]acetic acid

2-[N-(benzenesulfonyl)-3-methoxyanilino]acetic acid (PubChem CID 743110) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-methoxyanilino]acetic acid.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-methoxyanilino]acetic acid
PubChem CID743110
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name2-[N-(benzenesulfonyl)-3-methoxyanilino]acetic acid
SMILESCOc1cccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H15NO5S/c1-21-13-7-5-6-12(10-13)16(11-15(17)18)22(19,20)14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,17,18)
InChIKeyNKMFTDDYOPMJGL-UHFFFAOYSA-N
XLogP1.98
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[N-(benzenesulfonyl)-3-methoxyanilino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(phenylsulfonyl)glycine
CID 951593
N-[(3,4-dimethoxyphenyl)sulfonyl]-N-(4-methoxyphenyl)glycine
CID 1123806
N-[(4-methoxyphenyl)sulfonyl]-N-phenylglycine
CID 362726
N-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 651560
methyl 2-(N-(2,5-dimethoxyphenyl)-3,4-dimethoxyphenylsulfonamido)acetate
CID 661748
methyl 3-(4-methoxy-N-phenylphenylsulfonamido)propanoate
CID 665700
N-(2-ethoxyphenyl)-N-(phenylsulfonyl)glycine
CID 807924
N-(methylsulfonyl)-N-(4-phenoxyphenyl)glycine
CID 872546
N-[(4-ethoxyphenyl)sulfonyl]-N-phenylglycine
CID 1120944
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetic acid
CID 1129999
N-(4-ethoxyphenyl)-N-[(4-fluorophenyl)sulfonyl]glycine
CID 1266057
N-ethyl-4-hydroxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 44407582

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-methoxyanilino]acetic acid?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-methoxyanilino]acetic acid (CID 743110) is 2-[N-(benzenesulfonyl)-3-methoxyanilino]acetic acid.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-methoxyanilino]acetic acid?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-methoxyanilino]acetic acid is COc1cccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-methoxyanilino]acetic acid?
The InChIKey is NKMFTDDYOPMJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-21-13-7-5-6-12(10-13)16(11-15(17)18)22(19,20)14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,17,18).
What are the key properties of 2-[N-(benzenesulfonyl)-3-methoxyanilino]acetic acid?
2-[N-(benzenesulfonyl)-3-methoxyanilino]acetic acid has a molecular weight of 321.35 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-methoxyanilino]acetic acid is sourced from PubChem (CID 743110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).