N-(4-aminocyclohexyl)-4-bromo-N-ethyl-3-methylbenzenesulfonamide

C15H23BrN2O2S — CID 79114135

IUPACN-(4-aminocyclohexyl)-4-bromo-N-ethyl-3-methylbenzenesulfonamide
SMILESCCN(C1CCC(N)CC1)S(=O)(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C15H23BrN2O2S/c1-3-18(13-6-4-12(17)5-7-13)21(19,20)14-8-9-15(16)11(2)10-14/h8-10,12-13H,3-7,17H2,1-2H3
InChIKeyDITUXDKJWHDODL-UHFFFAOYSA-N
MW375.33 g/mol
LogP3.04
Rot. Bonds4

About N-(4-aminocyclohexyl)-4-bromo-N-ethyl-3-methylbenzenesulfonamide

N-(4-aminocyclohexyl)-4-bromo-N-ethyl-3-methylbenzenesulfonamide (PubChem CID 79114135) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-bromo-N-ethyl-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-bromo-N-ethyl-3-methylbenzenesulfonamide
PubChem CID79114135
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC NameN-(4-aminocyclohexyl)-4-bromo-N-ethyl-3-methylbenzenesulfonamide
SMILESCCN(C1CCC(N)CC1)S(=O)(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C15H23BrN2O2S/c1-3-18(13-6-4-12(17)5-7-13)21(19,20)14-8-9-15(16)11(2)10-14/h8-10,12-13H,3-7,17H2,1-2H3
InChIKeyDITUXDKJWHDODL-UHFFFAOYSA-N
XLogP3.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-aminocyclohexyl)-4-bromo-N-ethyl-3-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-aminocyclohexyl)-N-ethyl-3,4-difluorobenzenesulfonamide
CID 79113666
N-(4-aminocyclohexyl)-3,4-dichloro-N-ethylbenzenesulfonamide
CID 79113991
N-(4-aminocyclohexyl)-3-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 79113661
N-(4-aminocyclohexyl)-N-ethyl-2,5-dimethylbenzenesulfonamide
CID 79113665
4-bromo-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 35404500
4-(aminomethyl)-N-cyclohexyl-N-ethyl-3-methylbenzenesulfonamide
CID 106919020
N-cyclopropyl-N-ethyl-4-methyl-3-nitrobenzenesulfonamide
CID 24679119
3-amino-N-cyclopropyl-N-ethyl-4-hydroxybenzenesulfonamide
CID 43263873
4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide
CID 42997513
4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide
CID 62067489
4-N-[(4-bromo-3-methylphenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79115569
N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-sulfonamide
CID 79115776

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-bromo-N-ethyl-3-methylbenzenesulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-bromo-N-ethyl-3-methylbenzenesulfonamide (CID 79114135) is N-(4-aminocyclohexyl)-4-bromo-N-ethyl-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-bromo-N-ethyl-3-methylbenzenesulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-bromo-N-ethyl-3-methylbenzenesulfonamide is CCN(C1CCC(N)CC1)S(=O)(=O)c1ccc(Br)c(C)c1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-bromo-N-ethyl-3-methylbenzenesulfonamide?
The InChIKey is DITUXDKJWHDODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-3-18(13-6-4-12(17)5-7-13)21(19,20)14-8-9-15(16)11(2)10-14/h8-10,12-13H,3-7,17H2,1-2H3.
What are the key properties of N-(4-aminocyclohexyl)-4-bromo-N-ethyl-3-methylbenzenesulfonamide?
N-(4-aminocyclohexyl)-4-bromo-N-ethyl-3-methylbenzenesulfonamide has a molecular weight of 375.33 g/mol, XLogP of 3.04, 4 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-N-ethyl-3-methylbenzenesulfonamide is sourced from PubChem (CID 79114135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).