4-bromo-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide

C14H20BrNO2S — CID 47165024

IUPAC4-bromo-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCCC1N(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2S/c1-11-5-3-4-6-14(11)16(2)19(17,18)13-9-7-12(15)8-10-13/h7-11,14H,3-6H2,1-2H3
InChIKeyOEWLQYYJSKLBDD-UHFFFAOYSA-N
MW346.29 g/mol
LogP3.65
Rot. Bonds3

About 4-bromo-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide

4-bromo-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide (PubChem CID 47165024) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
PubChem CID47165024
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC Name4-bromo-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCCC1N(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2S/c1-11-5-3-4-6-14(11)16(2)19(17,18)13-9-7-12(15)8-10-13/h7-11,14H,3-6H2,1-2H3
InChIKeyOEWLQYYJSKLBDD-UHFFFAOYSA-N
XLogP3.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide
CID 28632510
2-[(4-bromophenyl)sulfonyl-methylamino]-N-methyl-N-(2-methylcyclohexyl)acetamide
CID 60507297
N,3,4-trimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 47165021
4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650716
N-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422029
3-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 81258647
2-amino-N-methyl-N-(2-methylcyclohexyl)pyrimidine-5-sulfonamide
CID 62159050
2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-4-sulfonamide
CID 61046115
4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 60639726
5-bromo-N-methyl-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-sulfonamide
CID 62159209
3-amino-5-fluoro-N,4-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 116791589
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-N,4-dimethylbenzenesulfonamide
CID 110125865

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide (CID 47165024) is 4-bromo-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide is CC1CCCCC1N(C)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide?
The InChIKey is OEWLQYYJSKLBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-11-5-3-4-6-14(11)16(2)19(17,18)13-9-7-12(15)8-10-13/h7-11,14H,3-6H2,1-2H3.
What are the key properties of 4-bromo-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide?
4-bromo-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide has a molecular weight of 346.29 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 47165024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).