2-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid

C22H20N2O6S — CID 1356290

IUPAC2-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)O)ccc2C)cc1
InChIInChI=1S/C22H20N2O6S/c1-14-7-8-15(21(25)23-19-6-4-3-5-18(19)22(26)27)13-20(14)31(28,29)24-16-9-11-17(30-2)12-10-16/h3-13,24H,1-2H3,(H,23,25)(H,26,27)
InChIKeyIIUUXMZFCBEOOK-UHFFFAOYSA-N
MW440.48 g/mol
LogP3.75
Rot. Bonds7

About 2-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid

2-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid (PubChem CID 1356290) has the molecular formula C22H20N2O6S and a molecular weight of 440.48 g/mol. Its IUPAC name is 2-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
PubChem CID1356290
Molecular FormulaC22H20N2O6S
Molecular Weight440.48 g/mol
Exact Mass440.10
IUPAC Name2-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)O)ccc2C)cc1
InChIInChI=1S/C22H20N2O6S/c1-14-7-8-15(21(25)23-19-6-4-3-5-18(19)22(26)27)13-20(14)31(28,29)24-16-9-11-17(30-2)12-10-16/h3-13,24H,1-2H3,(H,23,25)(H,26,27)
InChIKeyIIUUXMZFCBEOOK-UHFFFAOYSA-N
XLogP3.75
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-({3-[(Diethylamino)sulfonyl]-4-methoxybenzoyl}amino)benzoic acid
CID 1521222
2-[3-[4-(2-Methoxyphenyl)phenyl]propanoylamino]benzoic acid
CID 11595935
2-[3-[4-(4-Methoxyphenyl)phenyl]propanoylamino]benzoic acid
CID 11617732
2-[3-[4-(3-Methoxyphenyl)phenyl]propanoylamino]benzoic acid
CID 11646494
2-Amino-5-((4-methoxyphenyl)sulfamoyl)benzoic acid
CID 2357265
3-[Benzyl(4-methoxyphenyl)sulfamoyl]benzoic acid
CID 2387099
3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24639827
2-[3-(Diethylsulfamoyl)benzamido]-N-(4-methoxyphenyl)benzamide
CID 4651552
N-(4-{[(4-methoxyphenyl)amino]sulfonyl}naphthyl)benzamide
CID 3384970
4-[(3aR,4S,9bS)-8-[(4-methoxyphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
CID 5322407
2-[3-(4-Methoxy-phenylsulfamoyl)-benzoylamino]-benzoic acid
CID 1076709
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-benzoic acid
CID 1118219

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid?
The IUPAC name of 2-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid (CID 1356290) is 2-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid is COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)O)ccc2C)cc1.
What is the InChIKey of 2-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid?
The InChIKey is IIUUXMZFCBEOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6S/c1-14-7-8-15(21(25)23-19-6-4-3-5-18(19)22(26)27)13-20(14)31(28,29)24-16-9-11-17(30-2)12-10-16/h3-13,24H,1-2H3,(H,23,25)(H,26,27).
What are the key properties of 2-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid?
2-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid has a molecular weight of 440.48 g/mol, XLogP of 3.75, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid is sourced from PubChem (CID 1356290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).