2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide

C13H17ClFNO2S — CID 5181864

IUPAC2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCCCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFNO2S/c14-12-8-11(15)6-7-13(12)19(17,18)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2
InChIKeyFHFQVPHTJXOAHV-UHFFFAOYSA-N
MW305.80 g/mol
LogP3.34
Rot. Bonds4

About 2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide

2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide (PubChem CID 5181864) has the molecular formula C13H17ClFNO2S and a molecular weight of 305.80 g/mol. Its IUPAC name is 2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide
PubChem CID5181864
Molecular FormulaC13H17ClFNO2S
Molecular Weight305.80 g/mol
Exact Mass305.07
IUPAC Name2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCCCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFNO2S/c14-12-8-11(15)6-7-13(12)19(17,18)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2
InChIKeyFHFQVPHTJXOAHV-UHFFFAOYSA-N
XLogP3.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 3465734
4-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 2165209
3-Chloro-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide
CID 582392
2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 8470189
2-chloro-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 16306432
4-chloro-N-phenethylbenzenesulfonamide
CID 722861
3-chloro-4-fluoro-N-phenethylbenzenesulfonamide
CID 891194
N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 897615
4-chloro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 1122626
N-[2-(4-chlorophenyl)ethyl]-3,4-difluorobenzenesulfonamide
CID 2404283
N-[2-(4-chlorophenyl)-2-fluoroethyl]-4-methylbenzenesulfonamide
CID 121371930
N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 673882

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide (CID 5181864) is 2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide is O=S(=O)(NCC1CCCCC1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide?
The InChIKey is FHFQVPHTJXOAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2S/c14-12-8-11(15)6-7-13(12)19(17,18)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2.
What are the key properties of 2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide?
2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide has a molecular weight of 305.80 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 5181864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).