3-methoxy-4-(phenylsulfamoyl)benzoic acid

C14H13NO5S — CID 102694630

IUPAC3-methoxy-4-(phenylsulfamoyl)benzoic acid
SMILESCOc1cc(C(=O)O)ccc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C14H13NO5S/c1-20-12-9-10(14(16)17)7-8-13(12)21(18,19)15-11-5-3-2-4-6-11/h2-9,15H,1H3,(H,16,17)
InChIKeySZHHQSZIRIYDMN-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.19
Rot. Bonds5

About 3-methoxy-4-(phenylsulfamoyl)benzoic acid

3-methoxy-4-(phenylsulfamoyl)benzoic acid (PubChem CID 102694630) has the molecular formula C14H13NO5S and a molecular weight of 307.33 g/mol. Its IUPAC name is 3-methoxy-4-(phenylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-methoxy-4-(phenylsulfamoyl)benzoic acid
PubChem CID102694630
Molecular FormulaC14H13NO5S
Molecular Weight307.33 g/mol
Exact Mass307.05
IUPAC Name3-methoxy-4-(phenylsulfamoyl)benzoic acid
SMILESCOc1cc(C(=O)O)ccc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C14H13NO5S/c1-20-12-9-10(14(16)17)7-8-13(12)21(18,19)15-11-5-3-2-4-6-11/h2-9,15H,1H3,(H,16,17)
InChIKeySZHHQSZIRIYDMN-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

3-fluoro-4-(phenylsulfamoyl)benzoic acid
CID 79040936
4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
CID 1332709
4-[(4-chloro-2,5-dimethoxyphenyl)sulfonylamino]benzoic acid
CID 15944041
3-methoxy-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 102694633
4-[[4-(cyclopropanecarbonylamino)-2-methoxyphenyl]sulfonylamino]benzoic acid
CID 99780414
N-[3-methoxy-4-(phenylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 45110912
4-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid
CID 15944036
3-methoxy-4-(thiatriazol-5-ylsulfamoyl)benzoic acid
CID 102695581
3-methoxy-4-[[4-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]sulfamoyl]benzoic acid
CID 166272383
4-[(3-hydroxy-2-methylbutan-2-yl)sulfamoyl]-3-methoxybenzoic acid
CID 102695497
4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
CID 102694641
3-methoxy-4-[(1-methylcyclopropyl)sulfamoyl]benzoic acid
CID 102695439

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(phenylsulfamoyl)benzoic acid?
The IUPAC name of 3-methoxy-4-(phenylsulfamoyl)benzoic acid (CID 102694630) is 3-methoxy-4-(phenylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-methoxy-4-(phenylsulfamoyl)benzoic acid?
The canonical SMILES for 3-methoxy-4-(phenylsulfamoyl)benzoic acid is COc1cc(C(=O)O)ccc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 3-methoxy-4-(phenylsulfamoyl)benzoic acid?
The InChIKey is SZHHQSZIRIYDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5S/c1-20-12-9-10(14(16)17)7-8-13(12)21(18,19)15-11-5-3-2-4-6-11/h2-9,15H,1H3,(H,16,17).
What are the key properties of 3-methoxy-4-(phenylsulfamoyl)benzoic acid?
3-methoxy-4-(phenylsulfamoyl)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 3-methoxy-4-(phenylsulfamoyl)benzoic acid is sourced from PubChem (CID 102694630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).