4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid

C13H17NO5S — CID 102694641

IUPAC4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C13H17NO5S/c1-19-11-8-9(13(15)16)6-7-12(11)20(17,18)14-10-4-2-3-5-10/h6-8,10,14H,2-5H2,1H3,(H,15,16)
InChIKeyXWZFYCFGZRASTH-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.61
Rot. Bonds5

About 4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid

4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid (PubChem CID 102694641) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is 4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
PubChem CID102694641
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Name4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C13H17NO5S/c1-19-11-8-9(13(15)16)6-7-12(11)20(17,18)14-10-4-2-3-5-10/h6-8,10,14H,2-5H2,1H3,(H,15,16)
InChIKeyXWZFYCFGZRASTH-UHFFFAOYSA-N
XLogP1.61
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-(thian-4-ylsulfamoyl)benzoic acid
CID 102695480
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide
CID 172906018
3-methoxy-4-[(5-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid
CID 106185328
4-[(2,2-dimethylcyclopropyl)sulfamoyl]-3-methoxybenzoic acid
CID 102694792
methyl 3-methoxy-4-(piperidin-4-ylsulfamoyl)benzoate
CID 120706280
4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid
CID 79187274
N-cyclopentyl-2-methoxy-4-propan-2-ylbenzenesulfonamide
CID 110758409
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
3-amino-4-(cyclobutylsulfamoyl)benzoic acid
CID 81471279
N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589
3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide
CID 119450739

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid?
The IUPAC name of 4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid (CID 102694641) is 4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid.
What is the SMILES notation for 4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid?
The canonical SMILES for 4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid?
The InChIKey is XWZFYCFGZRASTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-19-11-8-9(13(15)16)6-7-12(11)20(17,18)14-10-4-2-3-5-10/h6-8,10,14H,2-5H2,1H3,(H,15,16).
What are the key properties of 4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid?
4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid has a molecular weight of 299.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid is sourced from PubChem (CID 102694641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).