2-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoic acid

C22H20N2O6S — CID 1013174

IUPAC2-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoic acid
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)O)cc2)cc1
InChIInChI=1S/C22H20N2O6S/c1-2-30-17-11-7-16(8-12-17)24-31(28,29)18-13-9-15(10-14-18)23-21(25)19-5-3-4-6-20(19)22(26)27/h3-14,24H,2H2,1H3,(H,23,25)(H,26,27)
InChIKeyQJNBLRYJUOLEHU-UHFFFAOYSA-N
MW440.48 g/mol
LogP3.84
Rot. Bonds8

About 2-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoic acid

2-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoic acid (PubChem CID 1013174) has the molecular formula C22H20N2O6S and a molecular weight of 440.48 g/mol. Its IUPAC name is 2-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoic acid
PubChem CID1013174
Molecular FormulaC22H20N2O6S
Molecular Weight440.48 g/mol
Exact Mass440.10
IUPAC Name2-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoic acid
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)O)cc2)cc1
InChIInChI=1S/C22H20N2O6S/c1-2-30-17-11-7-16(8-12-17)24-31(28,29)18-13-9-15(10-14-18)23-21(25)19-5-3-4-6-20(19)22(26)27/h3-14,24H,2H2,1H3,(H,23,25)(H,26,27)
InChIKeyQJNBLRYJUOLEHU-UHFFFAOYSA-N
XLogP3.84
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-((4-Phenoxyanilino)carbonyl)benzoic acid
CID 736198
3-[Benzyl(4-methoxyphenyl)sulfamoyl]benzoic acid
CID 2387099
3-{[4-(Benzyloxy)phenyl]sulfamoyl}benzoic acid
CID 2369482
4'-Methoxyphthalanilic acid
CID 792715
2'-[(4-Methoxyphenyl)carbamoyl]biphenyl-2-carboxylic acid
CID 951257
2-({2-[(4-Methoxyanilino)carbonyl]anilino}carbonyl)benzoic acid
CID 982166
2-[3-(4-Methoxy-phenylsulfamoyl)-4-methyl-benzoylamino]-benzoic acid
CID 1356290
2-Methyl-5-[[4-(3-methylphenoxy)phenyl]sulfamoyl]benzoic acid
CID 2470819
2-[4-(4-Methoxy-benzoylamino)-benzenesulfonylamino]-6-phenoxy-hex-4-ynoic acid
CID 10696977
2-[3-(4-Methoxy-phenylsulfamoyl)-benzoylamino]-benzoic acid
CID 1076709
2-[(3-Decoxybenzoyl)amino]-5-sulfamoylbenzoic acid
CID 91970406
2-{2-[N-(4-ethoxyphenyl)carbamoyl]phenyl}benzoic acid
CID 1101206

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoic acid (CID 1013174) is 2-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoic acid is CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)O)cc2)cc1.
What is the InChIKey of 2-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoic acid?
The InChIKey is QJNBLRYJUOLEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6S/c1-2-30-17-11-7-16(8-12-17)24-31(28,29)18-13-9-15(10-14-18)23-21(25)19-5-3-4-6-20(19)22(26)27/h3-14,24H,2H2,1H3,(H,23,25)(H,26,27).
What are the key properties of 2-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoic acid?
2-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoic acid has a molecular weight of 440.48 g/mol, XLogP of 3.84, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 1013174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).