N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide

C13H18ClFN2O2S — CID 79121895

IUPACN-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCC(N)CC1)S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C13H18ClFN2O2S/c1-17(11-5-3-10(16)4-6-11)20(18,19)13-7-2-9(15)8-12(13)14/h2,7-8,10-11H,3-6,16H2,1H3
InChIKeyPZSQBZLPXGXZQD-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.37
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide

N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 79121895) has the molecular formula C13H18ClFN2O2S and a molecular weight of 320.82 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide
PubChem CID79121895
Molecular FormulaC13H18ClFN2O2S
Molecular Weight320.82 g/mol
Exact Mass320.08
IUPAC NameN-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCC(N)CC1)S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C13H18ClFN2O2S/c1-17(11-5-3-10(16)4-6-11)20(18,19)13-7-2-9(15)8-12(13)14/h2,7-8,10-11H,3-6,16H2,1H3
InChIKeyPZSQBZLPXGXZQD-UHFFFAOYSA-N
XLogP2.37
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide
CID 79121472
N-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089103
2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63644245
N-(4-aminocyclohexyl)-4-chloro-N,2-dimethylbenzenesulfonamide
CID 79121392
4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 47169838
4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266881
2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide
CID 39116250
4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650717
2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 110726799
4-bromo-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
CID 63420302
N-(4-aminocyclohexyl)-3,5-dichloro-N-methylbenzenesulfonamide
CID 79120752
2,5-difluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60545461

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide (CID 79121895) is N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide is CN(C1CCC(N)CC1)S(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is PZSQBZLPXGXZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O2S/c1-17(11-5-3-10(16)4-6-11)20(18,19)13-7-2-9(15)8-12(13)14/h2,7-8,10-11H,3-6,16H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide?
N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 320.82 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 79121895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).