4-[(2-bromocyclohexyl)-methylamino]-N,N-dimethylbenzenesulfonamide

C15H23BrN2O2S — CID 102637610

IUPAC4-[(2-bromocyclohexyl)-methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(c1ccc(S(=O)(=O)N(C)C)cc1)C1CCCCC1Br
InChIInChI=1S/C15H23BrN2O2S/c1-17(2)21(19,20)13-10-8-12(9-11-13)18(3)15-7-5-4-6-14(15)16/h8-11,14-15H,4-7H2,1-3H3
InChIKeyYSKQRLDGHBRWJG-UHFFFAOYSA-N
MW375.33 g/mol
LogP3.08
Rot. Bonds4

About 4-[(2-bromocyclohexyl)-methylamino]-N,N-dimethylbenzenesulfonamide

4-[(2-bromocyclohexyl)-methylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 102637610) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is 4-[(2-bromocyclohexyl)-methylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2-bromocyclohexyl)-methylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID102637610
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name4-[(2-bromocyclohexyl)-methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(c1ccc(S(=O)(=O)N(C)C)cc1)C1CCCCC1Br
InChIInChI=1S/C15H23BrN2O2S/c1-17(2)21(19,20)13-10-8-12(9-11-13)18(3)15-7-5-4-6-14(15)16/h8-11,14-15H,4-7H2,1-3H3
InChIKeyYSKQRLDGHBRWJG-UHFFFAOYSA-N
XLogP3.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(N-methyl-4-methylsulfonylanilino)cyclohexan-1-ol
CID 102635903
2-bromo-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine
CID 102638612
4-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)-N,N-dimethylbenzenesulfonamide
CID 80668533
6-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 103341247
4-[2-chloroethyl(cyclopropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 63389826
1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 859646
1-(dimethylsulfamoyl)-4-[(2-methylsulfonyloxycyclohexyl)-sulfinoamino]benzene
CID 167303607
N,N-dimethyl-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide
CID 106642118
4-bromo-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 47165024
4-(4-cyclohexylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide
CID 1168545
N-(2-bromocyclohexyl)-N,2,5-trimethylbenzenesulfonamide
CID 102638654
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-N,4-dimethylbenzenesulfonamide
CID 110125865

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromocyclohexyl)-methylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[(2-bromocyclohexyl)-methylamino]-N,N-dimethylbenzenesulfonamide (CID 102637610) is 4-[(2-bromocyclohexyl)-methylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(2-bromocyclohexyl)-methylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[(2-bromocyclohexyl)-methylamino]-N,N-dimethylbenzenesulfonamide is CN(c1ccc(S(=O)(=O)N(C)C)cc1)C1CCCCC1Br.
What is the InChIKey of 4-[(2-bromocyclohexyl)-methylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is YSKQRLDGHBRWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-17(2)21(19,20)13-10-8-12(9-11-13)18(3)15-7-5-4-6-14(15)16/h8-11,14-15H,4-7H2,1-3H3.
What are the key properties of 4-[(2-bromocyclohexyl)-methylamino]-N,N-dimethylbenzenesulfonamide?
4-[(2-bromocyclohexyl)-methylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 375.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromocyclohexyl)-methylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 102637610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).