2-(cyclohexylmethylsulfonylamino)-4-fluorobenzoic acid

C14H18FNO4S — CID 61453916

IUPAC2-(cyclohexylmethylsulfonylamino)-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)cc1NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C14H18FNO4S/c15-11-6-7-12(14(17)18)13(8-11)16-21(19,20)9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2,(H,17,18)
InChIKeyAOXHYSXEAKHLAO-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.85
Rot. Bonds5

About 2-(cyclohexylmethylsulfonylamino)-4-fluorobenzoic acid

2-(cyclohexylmethylsulfonylamino)-4-fluorobenzoic acid (PubChem CID 61453916) has the molecular formula C14H18FNO4S and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(cyclohexylmethylsulfonylamino)-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-(cyclohexylmethylsulfonylamino)-4-fluorobenzoic acid
PubChem CID61453916
Molecular FormulaC14H18FNO4S
Molecular Weight315.37 g/mol
Exact Mass315.09
IUPAC Name2-(cyclohexylmethylsulfonylamino)-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)cc1NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C14H18FNO4S/c15-11-6-7-12(14(17)18)13(8-11)16-21(19,20)9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2,(H,17,18)
InChIKeyAOXHYSXEAKHLAO-UHFFFAOYSA-N
XLogP2.85
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(cyclohexylmethylsulfonylamino)-4-fluorobenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclohexylmethylsulfonylamino)-3-fluorobenzoic acid
CID 81499032
2-(cyclopentylamino)-4-fluorobenzoic acid
CID 82933177
5-(cyclohexylmethylsulfonylamino)-2-methylbenzoic acid
CID 63653860
4-fluoro-2-(sulfamoylamino)benzoic acid
CID 24710459
2-(cycloheptanecarbonylamino)-4-fluorobenzoic acid
CID 62585770
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 63656160
2-(cyclopropylmethylsulfonylamino)-5-hydroxybenzoic acid
CID 64987916
4-fluoro-2-(methylsulfamoylamino)benzoic acid
CID 114805322
2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-4-fluorobenzoic acid
CID 61456671
N-(5-amino-2-fluorophenyl)-1-cyclohexylmethanesulfonamide
CID 61453724
2-(cyclohexylmethylsulfonylamino)-3-methylbenzoic acid
CID 61453613
2-[(2-cyclopropylacetyl)amino]-4-fluorobenzoic acid
CID 43358568

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylsulfonylamino)-4-fluorobenzoic acid?
The IUPAC name of 2-(cyclohexylmethylsulfonylamino)-4-fluorobenzoic acid (CID 61453916) is 2-(cyclohexylmethylsulfonylamino)-4-fluorobenzoic acid.
What is the SMILES notation for 2-(cyclohexylmethylsulfonylamino)-4-fluorobenzoic acid?
The canonical SMILES for 2-(cyclohexylmethylsulfonylamino)-4-fluorobenzoic acid is O=C(O)c1ccc(F)cc1NS(=O)(=O)CC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethylsulfonylamino)-4-fluorobenzoic acid?
The InChIKey is AOXHYSXEAKHLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4S/c15-11-6-7-12(14(17)18)13(8-11)16-21(19,20)9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2,(H,17,18).
What are the key properties of 2-(cyclohexylmethylsulfonylamino)-4-fluorobenzoic acid?
2-(cyclohexylmethylsulfonylamino)-4-fluorobenzoic acid has a molecular weight of 315.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylsulfonylamino)-4-fluorobenzoic acid is sourced from PubChem (CID 61453916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).