2-(cyclopentylsulfonylamino)-6-fluorobenzoic acid

C12H14FNO4S — CID 113230561

IUPAC2-(cyclopentylsulfonylamino)-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1NS(=O)(=O)C1CCCC1
InChIInChI=1S/C12H14FNO4S/c13-9-6-3-7-10(11(9)12(15)16)14-19(17,18)8-4-1-2-5-8/h3,6-8,14H,1-2,4-5H2,(H,15,16)
InChIKeyBUIWYCAVEDNLMV-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.21
Rot. Bonds4

About 2-(cyclopentylsulfonylamino)-6-fluorobenzoic acid

2-(cyclopentylsulfonylamino)-6-fluorobenzoic acid (PubChem CID 113230561) has the molecular formula C12H14FNO4S and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-(cyclopentylsulfonylamino)-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-(cyclopentylsulfonylamino)-6-fluorobenzoic acid
PubChem CID113230561
Molecular FormulaC12H14FNO4S
Molecular Weight287.31 g/mol
Exact Mass287.06
IUPAC Name2-(cyclopentylsulfonylamino)-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1NS(=O)(=O)C1CCCC1
InChIInChI=1S/C12H14FNO4S/c13-9-6-3-7-10(11(9)12(15)16)14-19(17,18)8-4-1-2-5-8/h3,6-8,14H,1-2,4-5H2,(H,15,16)
InChIKeyBUIWYCAVEDNLMV-UHFFFAOYSA-N
XLogP2.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylsulfonylamino)-6-fluorobenzoic acid
CID 61066174
2-chloro-6-(cyclohexylsulfonylamino)benzoic acid
CID 63724305
2-fluoro-6-(sulfamoylamino)benzoic acid
CID 114958773
2-(cyclopropylsulfonyloxycarbonylamino)-6-fluorobenzoic acid
CID 174679647
N-(3-hydroxy-2-methylphenyl)cyclopentanesulfonamide
CID 105361239
N-(5-fluoro-2-hydroxyphenyl)cyclopentanesulfonamide
CID 105361240
2-[(2,5-dichlorophenyl)sulfonylamino]-6-fluorobenzoic acid
CID 51116002
N-(5-fluoro-2-hydroxyphenyl)cyclohexanesulfonamide
CID 64795142
2-[(2-bromophenyl)sulfonylamino]-6-fluorobenzoic acid
CID 43443122
2-[(1,1-dioxothiane-2-carbonyl)amino]-6-fluorobenzoic acid
CID 104517456
2-[(2-cyclopropylacetyl)amino]-6-fluorobenzoic acid
CID 43442755
6-(cyclohexylsulfonylamino)pyridine-2-carboxylic acid
CID 63643438

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfonylamino)-6-fluorobenzoic acid?
The IUPAC name of 2-(cyclopentylsulfonylamino)-6-fluorobenzoic acid (CID 113230561) is 2-(cyclopentylsulfonylamino)-6-fluorobenzoic acid.
What is the SMILES notation for 2-(cyclopentylsulfonylamino)-6-fluorobenzoic acid?
The canonical SMILES for 2-(cyclopentylsulfonylamino)-6-fluorobenzoic acid is O=C(O)c1c(F)cccc1NS(=O)(=O)C1CCCC1.
What is the InChIKey of 2-(cyclopentylsulfonylamino)-6-fluorobenzoic acid?
The InChIKey is BUIWYCAVEDNLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4S/c13-9-6-3-7-10(11(9)12(15)16)14-19(17,18)8-4-1-2-5-8/h3,6-8,14H,1-2,4-5H2,(H,15,16).
What are the key properties of 2-(cyclopentylsulfonylamino)-6-fluorobenzoic acid?
2-(cyclopentylsulfonylamino)-6-fluorobenzoic acid has a molecular weight of 287.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylsulfonylamino)-6-fluorobenzoic acid is sourced from PubChem (CID 113230561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).