3-amino-4-bromo-N-(4,4-dimethylcyclohexyl)-N-methylbenzenesulfonamide

C15H23BrN2O2S — CID 115329664

IUPAC3-amino-4-bromo-N-(4,4-dimethylcyclohexyl)-N-methylbenzenesulfonamide
SMILESCN(C1CCC(C)(C)CC1)S(=O)(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C15H23BrN2O2S/c1-15(2)8-6-11(7-9-15)18(3)21(19,20)12-4-5-13(16)14(17)10-12/h4-5,10-11H,6-9,17H2,1-3H3
InChIKeyRLSHUBSEYGZPIH-UHFFFAOYSA-N
MW375.33 g/mol
LogP3.62
Rot. Bonds3

About 3-amino-4-bromo-N-(4,4-dimethylcyclohexyl)-N-methylbenzenesulfonamide

3-amino-4-bromo-N-(4,4-dimethylcyclohexyl)-N-methylbenzenesulfonamide (PubChem CID 115329664) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(4,4-dimethylcyclohexyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(4,4-dimethylcyclohexyl)-N-methylbenzenesulfonamide
PubChem CID115329664
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name3-amino-4-bromo-N-(4,4-dimethylcyclohexyl)-N-methylbenzenesulfonamide
SMILESCN(C1CCC(C)(C)CC1)S(=O)(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C15H23BrN2O2S/c1-15(2)8-6-11(7-9-15)18(3)21(19,20)12-4-5-13(16)14(17)10-12/h4-5,10-11H,6-9,17H2,1-3H3
InChIKeyRLSHUBSEYGZPIH-UHFFFAOYSA-N
XLogP3.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43264640
4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide
CID 42997513
3-amino-N-cyclohexyl-4-ethyl-N-methylbenzenesulfonamide
CID 43257349
4-bromo-N,3-dimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 60822991
5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
CID 114625046
3-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 115328827
4-bromo-3-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 103828881
5-amino-4-bromo-N-cyclohexyl-N,2-dimethylbenzenesulfonamide
CID 114624845
3-amino-4-bromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 115329228
4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650716
2-amino-N-cyclopropyl-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 62143938
3-amino-4-methoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 43610677

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(4,4-dimethylcyclohexyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-4-bromo-N-(4,4-dimethylcyclohexyl)-N-methylbenzenesulfonamide (CID 115329664) is 3-amino-4-bromo-N-(4,4-dimethylcyclohexyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-bromo-N-(4,4-dimethylcyclohexyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-bromo-N-(4,4-dimethylcyclohexyl)-N-methylbenzenesulfonamide is CN(C1CCC(C)(C)CC1)S(=O)(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 3-amino-4-bromo-N-(4,4-dimethylcyclohexyl)-N-methylbenzenesulfonamide?
The InChIKey is RLSHUBSEYGZPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-15(2)8-6-11(7-9-15)18(3)21(19,20)12-4-5-13(16)14(17)10-12/h4-5,10-11H,6-9,17H2,1-3H3.
What are the key properties of 3-amino-4-bromo-N-(4,4-dimethylcyclohexyl)-N-methylbenzenesulfonamide?
3-amino-4-bromo-N-(4,4-dimethylcyclohexyl)-N-methylbenzenesulfonamide has a molecular weight of 375.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-(4,4-dimethylcyclohexyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 115329664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).