N-(4-aminocyclohexyl)-4-bromo-2,6-dichloro-N-methylbenzenesulfonamide

C13H17BrCl2N2O2S — CID 79113443

IUPACN-(4-aminocyclohexyl)-4-bromo-2,6-dichloro-N-methylbenzenesulfonamide
SMILESCN(C1CCC(N)CC1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H17BrCl2N2O2S/c1-18(10-4-2-9(17)3-5-10)21(19,20)13-11(15)6-8(14)7-12(13)16/h6-7,9-10H,2-5,17H2,1H3
InChIKeyIMUZYRIOKOAYQT-UHFFFAOYSA-N
MW416.17 g/mol
LogP3.65
Rot. Bonds3

About N-(4-aminocyclohexyl)-4-bromo-2,6-dichloro-N-methylbenzenesulfonamide

N-(4-aminocyclohexyl)-4-bromo-2,6-dichloro-N-methylbenzenesulfonamide (PubChem CID 79113443) has the molecular formula C13H17BrCl2N2O2S and a molecular weight of 416.17 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-bromo-2,6-dichloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-bromo-2,6-dichloro-N-methylbenzenesulfonamide
PubChem CID79113443
Molecular FormulaC13H17BrCl2N2O2S
Molecular Weight416.17 g/mol
Exact Mass413.96
IUPAC NameN-(4-aminocyclohexyl)-4-bromo-2,6-dichloro-N-methylbenzenesulfonamide
SMILESCN(C1CCC(N)CC1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H17BrCl2N2O2S/c1-18(10-4-2-9(17)3-5-10)21(19,20)13-11(15)6-8(14)7-12(13)16/h6-7,9-10H,2-5,17H2,1H3
InChIKeyIMUZYRIOKOAYQT-UHFFFAOYSA-N
XLogP3.65
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.17
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2,6-dichloro-N-methyl-N-(4-oxocyclohexyl)benzenesulfonamide
CID 79118619
N-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide
CID 79121472
N-(4-aminocyclohexyl)-3,5-dichloro-N-methylbenzenesulfonamide
CID 79120752
4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 47169838
N-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089103
N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 79121895
4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650717
4-bromo-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
CID 63420302
N-(4-aminocyclohexyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 103099464
N-(4-aminocyclohexyl)-4-chloro-N,2-dimethylbenzenesulfonamide
CID 79121392
4-bromo-2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 63700364
2-amino-4,6-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43255890

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-bromo-2,6-dichloro-N-methylbenzenesulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-bromo-2,6-dichloro-N-methylbenzenesulfonamide (CID 79113443) is N-(4-aminocyclohexyl)-4-bromo-2,6-dichloro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-bromo-2,6-dichloro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-bromo-2,6-dichloro-N-methylbenzenesulfonamide is CN(C1CCC(N)CC1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-4-bromo-2,6-dichloro-N-methylbenzenesulfonamide?
The InChIKey is IMUZYRIOKOAYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrCl2N2O2S/c1-18(10-4-2-9(17)3-5-10)21(19,20)13-11(15)6-8(14)7-12(13)16/h6-7,9-10H,2-5,17H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-4-bromo-2,6-dichloro-N-methylbenzenesulfonamide?
N-(4-aminocyclohexyl)-4-bromo-2,6-dichloro-N-methylbenzenesulfonamide has a molecular weight of 416.17 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-bromo-2,6-dichloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 79113443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).