5-(benzylsulfamoyl)-2-[2-(4-methoxyphenyl)ethylamino]benzoic acid

C23H24N2O5S — CID 99984297

IUPAC5-(benzylsulfamoyl)-2-[2-(4-methoxyphenyl)ethylamino]benzoic acid
SMILESCOc1ccc(CCNc2ccc(S(=O)(=O)NCc3ccccc3)cc2C(=O)O)cc1
InChIInChI=1S/C23H24N2O5S/c1-30-19-9-7-17(8-10-19)13-14-24-22-12-11-20(15-21(22)23(26)27)31(28,29)25-16-18-5-3-2-4-6-18/h2-12,15,24-25H,13-14,16H2,1H3,(H,26,27)
InChIKeyYACMTXPXWAEDIQ-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.53
Rot. Bonds10

About 5-(benzylsulfamoyl)-2-[2-(4-methoxyphenyl)ethylamino]benzoic acid

5-(benzylsulfamoyl)-2-[2-(4-methoxyphenyl)ethylamino]benzoic acid (PubChem CID 99984297) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-2-[2-(4-methoxyphenyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-2-[2-(4-methoxyphenyl)ethylamino]benzoic acid
PubChem CID99984297
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name5-(benzylsulfamoyl)-2-[2-(4-methoxyphenyl)ethylamino]benzoic acid
SMILESCOc1ccc(CCNc2ccc(S(=O)(=O)NCc3ccccc3)cc2C(=O)O)cc1
InChIInChI=1S/C23H24N2O5S/c1-30-19-9-7-17(8-10-19)13-14-24-22-12-11-20(15-21(22)23(26)27)31(28,29)25-16-18-5-3-2-4-6-18/h2-12,15,24-25H,13-14,16H2,1H3,(H,26,27)
InChIKeyYACMTXPXWAEDIQ-UHFFFAOYSA-N
XLogP3.53
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methoxyphenyl)ethylamino]-5-(3-methylbutylsulfamoyl)benzoic acid
CID 99986408
3-(benzylsulfamoyl)-4-[2-(4-methoxyphenyl)ethylamino]benzoic acid
CID 99979035
5-(3-hydroxypropylsulfamoyl)-2-(2-phenylethylamino)benzoic acid
CID 99983704
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
2-(benzylamino)-5-(2-hydroxyethylsulfamoyl)benzoic acid
CID 99983555
5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-(2-phenylethylamino)benzoic acid
CID 99983404
5-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-2-(propylamino)benzoic acid
CID 99984969
5-(benzylsulfamoyl)-2-[[(2R)-butan-2-yl]amino]benzoic acid
CID 99984205
3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide
CID 126237309
4-(benzylsulfamoyl)-2-carboxyphenolate
CID 54712789
2-[[(2R)-1-methoxypropan-2-yl]amino]-5-(2-phenylethylsulfamoyl)benzoic acid
CID 99984785
2-(1-methoxypropan-2-ylamino)-5-(2-phenylethylsulfamoyl)benzoic acid
CID 132659590

Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-2-[2-(4-methoxyphenyl)ethylamino]benzoic acid?
The IUPAC name of 5-(benzylsulfamoyl)-2-[2-(4-methoxyphenyl)ethylamino]benzoic acid (CID 99984297) is 5-(benzylsulfamoyl)-2-[2-(4-methoxyphenyl)ethylamino]benzoic acid.
What is the SMILES notation for 5-(benzylsulfamoyl)-2-[2-(4-methoxyphenyl)ethylamino]benzoic acid?
The canonical SMILES for 5-(benzylsulfamoyl)-2-[2-(4-methoxyphenyl)ethylamino]benzoic acid is COc1ccc(CCNc2ccc(S(=O)(=O)NCc3ccccc3)cc2C(=O)O)cc1.
What is the InChIKey of 5-(benzylsulfamoyl)-2-[2-(4-methoxyphenyl)ethylamino]benzoic acid?
The InChIKey is YACMTXPXWAEDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-30-19-9-7-17(8-10-19)13-14-24-22-12-11-20(15-21(22)23(26)27)31(28,29)25-16-18-5-3-2-4-6-18/h2-12,15,24-25H,13-14,16H2,1H3,(H,26,27).
What are the key properties of 5-(benzylsulfamoyl)-2-[2-(4-methoxyphenyl)ethylamino]benzoic acid?
5-(benzylsulfamoyl)-2-[2-(4-methoxyphenyl)ethylamino]benzoic acid has a molecular weight of 440.52 g/mol, XLogP of 3.53, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-2-[2-(4-methoxyphenyl)ethylamino]benzoic acid is sourced from PubChem (CID 99984297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).