N-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide

C14H21ClN2O2S — CID 79121472

IUPACN-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2CCC(N)CC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2O2S/c1-10-3-8-14(13(15)9-10)20(18,19)17(2)12-6-4-11(16)5-7-12/h3,8-9,11-12H,4-7,16H2,1-2H3
InChIKeyUHWIAOUBEQERKM-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.54
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide

N-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide (PubChem CID 79121472) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide
PubChem CID79121472
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC NameN-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2CCC(N)CC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2O2S/c1-10-3-8-14(13(15)9-10)20(18,19)17(2)12-6-4-11(16)5-7-12/h3,8-9,11-12H,4-7,16H2,1-2H3
InChIKeyUHWIAOUBEQERKM-UHFFFAOYSA-N
XLogP2.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 79121895
N-(4-aminocyclohexyl)-4-chloro-N,2-dimethylbenzenesulfonamide
CID 79121392
4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 47169838
N-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089103
1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959179
4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650717
4-bromo-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
CID 63420302
4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266881
N-(4-aminocyclohexyl)-4-bromo-2,6-dichloro-N-methylbenzenesulfonamide
CID 79113443
2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
CID 43266857
2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide
CID 39116250
2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 110726799

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide (CID 79121472) is N-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C2CCC(N)CC2)c(Cl)c1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide?
The InChIKey is UHWIAOUBEQERKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-10-3-8-14(13(15)9-10)20(18,19)17(2)12-6-4-11(16)5-7-12/h3,8-9,11-12H,4-7,16H2,1-2H3.
What are the key properties of N-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide?
N-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 2.54, 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-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 79121472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).