4-[(4-methoxyphenyl)sulfamoyl]benzoic acid

C14H13NO5S — CID 2376812

IUPAC4-[(4-methoxyphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C14H13NO5S/c1-20-12-6-4-11(5-7-12)15-21(18,19)13-8-2-10(3-9-13)14(16)17/h2-9,15H,1H3,(H,16,17)
InChIKeyLZKUCYPSKRMZOU-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.19
Rot. Bonds5

About 4-[(4-methoxyphenyl)sulfamoyl]benzoic acid

4-[(4-methoxyphenyl)sulfamoyl]benzoic acid (PubChem CID 2376812) has the molecular formula C14H13NO5S and a molecular weight of 307.33 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)sulfamoyl]benzoic acid
PubChem CID2376812
Molecular FormulaC14H13NO5S
Molecular Weight307.33 g/mol
Exact Mass307.05
IUPAC Name4-[(4-methoxyphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C14H13NO5S/c1-20-12-6-4-11(5-7-12)15-21(18,19)13-8-2-10(3-9-13)14(16)17/h2-9,15H,1H3,(H,16,17)
InChIKeyLZKUCYPSKRMZOU-UHFFFAOYSA-N
XLogP2.19
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxy-3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 777275
4-(((2-Methoxyphenyl)methylamino)sulfonyl)benzoic acid
CID 2360199
Methyl 3-(4-methylbenzenesulfonamido)benzoate
CID 1159052
Sulfonamide-Substituted Cyclooctylpyranone deriv. 35o
CID 54682802
3-[(4-Methoxyphenyl)sulfamoyl]benzoic acid
CID 766535
2-Amino-5-((4-methoxyphenyl)sulfamoyl)benzoic acid
CID 2357265
3-[Benzyl(4-methoxyphenyl)sulfamoyl]benzoic acid
CID 2387099
3,5-Bis(4-ethoxybenzenesulfonamido)benzoic acid
CID 2390814
3-{[4-(Benzyloxy)phenyl]sulfamoyl}benzoic acid
CID 2369482
2-{[(4-Methylphenyl)sulfonyl]amino}-5-Phenoxybenzoic Acid
CID 71300316
4-[(4-Methylphenyl)sulfamoyl]benzoic acid
CID 2403526
4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylsulfamoyl)-benzoic acid
CID 861493

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-[(4-methoxyphenyl)sulfamoyl]benzoic acid (CID 2376812) is 4-[(4-methoxyphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[(4-methoxyphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-[(4-methoxyphenyl)sulfamoyl]benzoic acid is COc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)sulfamoyl]benzoic acid?
The InChIKey is LZKUCYPSKRMZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5S/c1-20-12-6-4-11(5-7-12)15-21(18,19)13-8-2-10(3-9-13)14(16)17/h2-9,15H,1H3,(H,16,17).
What are the key properties of 4-[(4-methoxyphenyl)sulfamoyl]benzoic acid?
4-[(4-methoxyphenyl)sulfamoyl]benzoic acid has a molecular weight of 307.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2376812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).