2-[4-(cyclopropylsulfamoyl)phenyl]pentanoic acid

C14H19NO4S — CID 104571979

IUPAC2-[4-(cyclopropylsulfamoyl)phenyl]pentanoic acid
SMILESCCCC(C(=O)O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C14H19NO4S/c1-2-3-13(14(16)17)10-4-8-12(9-5-10)20(18,19)15-11-6-7-11/h4-5,8-9,11,13,15H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyDAGLAGGDRLJWLQ-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.10
Rot. Bonds7

About 2-[4-(cyclopropylsulfamoyl)phenyl]pentanoic acid

2-[4-(cyclopropylsulfamoyl)phenyl]pentanoic acid (PubChem CID 104571979) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[4-(cyclopropylsulfamoyl)phenyl]pentanoic acid.

Molecular Properties

Compound Name2-[4-(cyclopropylsulfamoyl)phenyl]pentanoic acid
PubChem CID104571979
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-[4-(cyclopropylsulfamoyl)phenyl]pentanoic acid
SMILESCCCC(C(=O)O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C14H19NO4S/c1-2-3-13(14(16)17)10-4-8-12(9-5-10)20(18,19)15-11-6-7-11/h4-5,8-9,11,13,15H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyDAGLAGGDRLJWLQ-UHFFFAOYSA-N
XLogP2.10
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(cyclopropylsulfamoyl)phenyl]pentanoic acid
CID 104571930
ethyl 2-cyano-2-[4-(cyclopropylsulfamoyl)phenyl]acetate
CID 104571450
2-[4-(propan-2-ylsulfamoyl)phenyl]butanoic acid
CID 113428098
4-[(1R)-1-amino-2-hydroxyethyl]-N-cyclopropylbenzenesulfonamide
CID 137403957
4-(3-bromopentan-2-yl)-N-cyclopropylbenzenesulfonamide
CID 63561221
4-propan-2-yl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 51110179
N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide
CID 82164865
4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119993234
2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-2-methylbutanoic acid
CID 119199013
N-cyclopentyl-4-propan-2-ylbenzenesulfonamide
CID 6469335
4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide
CID 43603241
4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide
CID 61059370

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylsulfamoyl)phenyl]pentanoic acid?
The IUPAC name of 2-[4-(cyclopropylsulfamoyl)phenyl]pentanoic acid (CID 104571979) is 2-[4-(cyclopropylsulfamoyl)phenyl]pentanoic acid.
What is the SMILES notation for 2-[4-(cyclopropylsulfamoyl)phenyl]pentanoic acid?
The canonical SMILES for 2-[4-(cyclopropylsulfamoyl)phenyl]pentanoic acid is CCCC(C(=O)O)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 2-[4-(cyclopropylsulfamoyl)phenyl]pentanoic acid?
The InChIKey is DAGLAGGDRLJWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-2-3-13(14(16)17)10-4-8-12(9-5-10)20(18,19)15-11-6-7-11/h4-5,8-9,11,13,15H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of 2-[4-(cyclopropylsulfamoyl)phenyl]pentanoic acid?
2-[4-(cyclopropylsulfamoyl)phenyl]pentanoic acid has a molecular weight of 297.38 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylsulfamoyl)phenyl]pentanoic acid is sourced from PubChem (CID 104571979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).