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

C22H20N2O6S — CID 1081903

IUPAC3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)O)c2)ccc1C
InChIInChI=1S/C22H20N2O6S/c1-14-10-11-15(21(25)23-17-7-5-6-16(12-17)22(26)27)13-20(14)31(28,29)24-18-8-3-4-9-19(18)30-2/h3-13,24H,1-2H3,(H,23,25)(H,26,27)
InChIKeyBUEFROLRWJKQPD-UHFFFAOYSA-N
MW440.48 g/mol
LogP3.75
Rot. Bonds7

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

3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid (PubChem CID 1081903) has the molecular formula C22H20N2O6S and a molecular weight of 440.48 g/mol. Its IUPAC name is 3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
PubChem CID1081903
Molecular FormulaC22H20N2O6S
Molecular Weight440.48 g/mol
Exact Mass440.10
IUPAC Name3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)O)c2)ccc1C
InChIInChI=1S/C22H20N2O6S/c1-14-10-11-15(21(25)23-17-7-5-6-16(12-17)22(26)27)13-20(14)31(28,29)24-18-8-3-4-9-19(18)30-2/h3-13,24H,1-2H3,(H,23,25)(H,26,27)
InChIKeyBUEFROLRWJKQPD-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

N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 4846593
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide
CID 71904027
N-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2687808
N-(3,4-diethoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 26878789
N-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1289257
N-cyclopropyl-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 7908217
3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
CID 55945307
4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278
N-[6-(dimethylamino)-3-pyridinyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 30295673
4-(difluoromethoxy)-3-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 26644330
4-methyl-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3443148
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dimethylbenzamide
CID 3879769

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid?
The IUPAC name of 3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid (CID 1081903) is 3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid.
What is the SMILES notation for 3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid?
The canonical SMILES for 3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid is COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)O)c2)ccc1C.
What is the InChIKey of 3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid?
The InChIKey is BUEFROLRWJKQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6S/c1-14-10-11-15(21(25)23-17-7-5-6-16(12-17)22(26)27)13-20(14)31(28,29)24-18-8-3-4-9-19(18)30-2/h3-13,24H,1-2H3,(H,23,25)(H,26,27).
What are the key properties of 3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid?
3-[[3-[(2-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 3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid is sourced from PubChem (CID 1081903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).