3-amino-5-chloro-N-(2-cyclohexylethyl)-2-fluorobenzenesulfonamide

C14H20ClFN2O2S — CID 103050733

IUPAC3-amino-5-chloro-N-(2-cyclohexylethyl)-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NCCC2CCCCC2)c1F
InChIInChI=1S/C14H20ClFN2O2S/c15-11-8-12(17)14(16)13(9-11)21(19,20)18-7-6-10-4-2-1-3-5-10/h8-10,18H,1-7,17H2
InChIKeyORZQDOFXCCINBQ-UHFFFAOYSA-N
MW334.84 g/mol
LogP3.31
Rot. Bonds5

About 3-amino-5-chloro-N-(2-cyclohexylethyl)-2-fluorobenzenesulfonamide

3-amino-5-chloro-N-(2-cyclohexylethyl)-2-fluorobenzenesulfonamide (PubChem CID 103050733) has the molecular formula C14H20ClFN2O2S and a molecular weight of 334.84 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(2-cyclohexylethyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(2-cyclohexylethyl)-2-fluorobenzenesulfonamide
PubChem CID103050733
Molecular FormulaC14H20ClFN2O2S
Molecular Weight334.84 g/mol
Exact Mass334.09
IUPAC Name3-amino-5-chloro-N-(2-cyclohexylethyl)-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NCCC2CCCCC2)c1F
InChIInChI=1S/C14H20ClFN2O2S/c15-11-8-12(17)14(16)13(9-11)21(19,20)18-7-6-10-4-2-1-3-5-10/h8-10,18H,1-7,17H2
InChIKeyORZQDOFXCCINBQ-UHFFFAOYSA-N
XLogP3.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.84
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-chloro-N-(2-cyclopentylethyl)-2-methylbenzenesulfonamide
CID 114379038
3-amino-5-chloro-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 114380201
3-amino-5-chloro-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103051627
3-amino-5-chloro-2-fluoro-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 103050953
3-amino-5-chloro-2-fluoro-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 103051825
4-amino-N-(2-cyclohexylethyl)-3-fluorobenzenesulfonamide
CID 82843865
3-amino-2-bromo-5-chloro-N-(cyclohexylmethyl)benzenesulfonamide
CID 62955309
3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 103052009
3-amino-5-chloro-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 103051755
5-amino-3-bromo-N-(3-cyclopentylpropyl)-2-fluorobenzenesulfonamide
CID 106006732
3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 103052007
3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 106358771

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-(2-cyclohexylethyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-(2-cyclohexylethyl)-2-fluorobenzenesulfonamide (CID 103050733) is 3-amino-5-chloro-N-(2-cyclohexylethyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-(2-cyclohexylethyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-(2-cyclohexylethyl)-2-fluorobenzenesulfonamide is Nc1cc(Cl)cc(S(=O)(=O)NCCC2CCCCC2)c1F.
What is the InChIKey of 3-amino-5-chloro-N-(2-cyclohexylethyl)-2-fluorobenzenesulfonamide?
The InChIKey is ORZQDOFXCCINBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O2S/c15-11-8-12(17)14(16)13(9-11)21(19,20)18-7-6-10-4-2-1-3-5-10/h8-10,18H,1-7,17H2.
What are the key properties of 3-amino-5-chloro-N-(2-cyclohexylethyl)-2-fluorobenzenesulfonamide?
3-amino-5-chloro-N-(2-cyclohexylethyl)-2-fluorobenzenesulfonamide has a molecular weight of 334.84 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-(2-cyclohexylethyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 103050733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).