2-(N-(4-ethoxyphenyl)sulfonylanilino)acetic acid

C16H17NO5S — CID 1120944

IUPAC2-(N-(4-ethoxyphenyl)sulfonylanilino)acetic acid
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO5S/c1-2-22-14-8-10-15(11-9-14)23(20,21)17(12-16(18)19)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,18,19)
InChIKeyIDCPUGOVQXQLLF-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.37
Rot. Bonds7

About 2-(N-(4-ethoxyphenyl)sulfonylanilino)acetic acid

2-(N-(4-ethoxyphenyl)sulfonylanilino)acetic acid (PubChem CID 1120944) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-(N-(4-ethoxyphenyl)sulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(4-ethoxyphenyl)sulfonylanilino)acetic acid
PubChem CID1120944
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name2-(N-(4-ethoxyphenyl)sulfonylanilino)acetic acid
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO5S/c1-2-22-14-8-10-15(11-9-14)23(20,21)17(12-16(18)19)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,18,19)
InChIKeyIDCPUGOVQXQLLF-UHFFFAOYSA-N
XLogP2.37
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(N-(4-ethoxyphenyl)sulfonylanilino)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

4-(2,3-dihydro-4H-1,4-benzoxazin-4-ylsulfonyl)phenyl methyl ether
CID 1473035
N-(2-methoxyphenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide
CID 2771918
N-(2-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 4880111
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
1-(4-Butoxyphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 2921330
N-[(4-methoxyphenyl)sulfonyl]-N-phenylglycine
CID 362726
N-[(4-ethoxyphenyl)sulfonyl]-N-(4-methylphenyl)glycine
CID 802604
{4-[4-(2-Fluoro-phenyl)-piperazine-1-sulfonyl]-phenoxy}-acetic acid methyl ester
CID 648182
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

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonylanilino)acetic acid?
The IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonylanilino)acetic acid (CID 1120944) is 2-(N-(4-ethoxyphenyl)sulfonylanilino)acetic acid.
What is the SMILES notation for 2-(N-(4-ethoxyphenyl)sulfonylanilino)acetic acid?
The canonical SMILES for 2-(N-(4-ethoxyphenyl)sulfonylanilino)acetic acid is CCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2)cc1.
What is the InChIKey of 2-(N-(4-ethoxyphenyl)sulfonylanilino)acetic acid?
The InChIKey is IDCPUGOVQXQLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-2-22-14-8-10-15(11-9-14)23(20,21)17(12-16(18)19)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,18,19).
What are the key properties of 2-(N-(4-ethoxyphenyl)sulfonylanilino)acetic acid?
2-(N-(4-ethoxyphenyl)sulfonylanilino)acetic acid has a molecular weight of 335.38 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-ethoxyphenyl)sulfonylanilino)acetic acid is sourced from PubChem (CID 1120944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).