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

C14H19NO4S — CID 104571930

IUPAC2-[2-(cyclopropylsulfamoyl)phenyl]pentanoic acid
SMILESCCCC(C(=O)O)c1ccccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C14H19NO4S/c1-2-5-12(14(16)17)11-6-3-4-7-13(11)20(18,19)15-10-8-9-10/h3-4,6-7,10,12,15H,2,5,8-9H2,1H3,(H,16,17)
InChIKeyYLHYIDQBZDDHPL-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.10
Rot. Bonds7

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

2-[2-(cyclopropylsulfamoyl)phenyl]pentanoic acid (PubChem CID 104571930) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfamoyl)phenyl]pentanoic acid.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfamoyl)phenyl]pentanoic acid
PubChem CID104571930
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-[2-(cyclopropylsulfamoyl)phenyl]pentanoic acid
SMILESCCCC(C(=O)O)c1ccccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C14H19NO4S/c1-2-5-12(14(16)17)11-6-3-4-7-13(11)20(18,19)15-10-8-9-10/h3-4,6-7,10,12,15H,2,5,8-9H2,1H3,(H,16,17)
InChIKeyYLHYIDQBZDDHPL-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-(trifluoromethylsulfonyl)phenyl]pentanoic acid
CID 104571902
2-[4-(cyclopropylsulfamoyl)phenyl]pentanoic acid
CID 104571979
2-(3-chloropentan-2-yl)-N-cyclopropylbenzenesulfonamide
CID 55220897
2-[2-(cyclopropylsulfamoyl)anilino]propanoic acid
CID 43468799
4-[(2-propan-2-ylphenyl)sulfonylamino]piperidine-1-carboxylic acid
CID 69166315
2-(2-chloro-4-methylpentan-3-yl)-N-cyclopropylbenzenesulfonamide
CID 63205165
2-(1-carboxybutyl)benzoic acid
CID 51041232
2-(2-phenylphenyl)pentanoic acid
CID 67565626
N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500228
2-(2-bromophenyl)-4-propylsulfonylbutanoic acid
CID 106727852
N-cyclopropyl-2-(pentylamino)benzenesulfonamide
CID 43454657
2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653542

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfamoyl)phenyl]pentanoic acid?
The IUPAC name of 2-[2-(cyclopropylsulfamoyl)phenyl]pentanoic acid (CID 104571930) is 2-[2-(cyclopropylsulfamoyl)phenyl]pentanoic acid.
What is the SMILES notation for 2-[2-(cyclopropylsulfamoyl)phenyl]pentanoic acid?
The canonical SMILES for 2-[2-(cyclopropylsulfamoyl)phenyl]pentanoic acid is CCCC(C(=O)O)c1ccccc1S(=O)(=O)NC1CC1.
What is the InChIKey of 2-[2-(cyclopropylsulfamoyl)phenyl]pentanoic acid?
The InChIKey is YLHYIDQBZDDHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-2-5-12(14(16)17)11-6-3-4-7-13(11)20(18,19)15-10-8-9-10/h3-4,6-7,10,12,15H,2,5,8-9H2,1H3,(H,16,17).
What are the key properties of 2-[2-(cyclopropylsulfamoyl)phenyl]pentanoic acid?
2-[2-(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-[2-(cyclopropylsulfamoyl)phenyl]pentanoic acid is sourced from PubChem (CID 104571930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).