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

C14H21BrN2O2S — CID 104963333

IUPAC5-amino-4-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCc1cc(Br)c(N)cc1S(=O)(=O)NC1CCC(C)CC1
InChIInChI=1S/C14H21BrN2O2S/c1-9-3-5-11(6-4-9)17-20(18,19)14-8-13(16)12(15)7-10(14)2/h7-9,11,17H,3-6,16H2,1-2H3
InChIKeyWXVKTCCQVYQJMO-UHFFFAOYSA-N
MW361.31 g/mol
LogP3.20
Rot. Bonds3

About 5-amino-4-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide

5-amino-4-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide (PubChem CID 104963333) has the molecular formula C14H21BrN2O2S and a molecular weight of 361.31 g/mol. Its IUPAC name is 5-amino-4-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
PubChem CID104963333
Molecular FormulaC14H21BrN2O2S
Molecular Weight361.31 g/mol
Exact Mass360.05
IUPAC Name5-amino-4-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCc1cc(Br)c(N)cc1S(=O)(=O)NC1CCC(C)CC1
InChIInChI=1S/C14H21BrN2O2S/c1-9-3-5-11(6-4-9)17-20(18,19)14-8-13(16)12(15)7-10(14)2/h7-9,11,17H,3-6,16H2,1-2H3
InChIKeyWXVKTCCQVYQJMO-UHFFFAOYSA-N
XLogP3.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-bromo-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114626345
5-amino-4-bromo-N-cyclopentyl-2-methylbenzenesulfonamide
CID 114624790
5-amino-4-bromo-N-cyclooctyl-2-methylbenzenesulfonamide
CID 114624962
5-amino-4-bromo-N-(1,1-dioxothian-4-yl)-2-methylbenzenesulfonamide
CID 114625209
5-amino-4-bromo-N-(1-ethylpiperidin-4-yl)-2-methylbenzenesulfonamide
CID 114625369
5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60660580
3-amino-5-chloro-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 104963329
3-amino-4,5-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 28545115
5-amino-4-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide
CID 114626150
5-amino-4-bromo-N-(1,1-dioxothian-4-yl)-2-fluorobenzenesulfonamide
CID 116529819
5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide
CID 79974645
5-amino-2,4-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542830

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide (CID 104963333) is 5-amino-4-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide is Cc1cc(Br)c(N)cc1S(=O)(=O)NC1CCC(C)CC1.
What is the InChIKey of 5-amino-4-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
The InChIKey is WXVKTCCQVYQJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S/c1-9-3-5-11(6-4-9)17-20(18,19)14-8-13(16)12(15)7-10(14)2/h7-9,11,17H,3-6,16H2,1-2H3.
What are the key properties of 5-amino-4-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
5-amino-4-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide has a molecular weight of 361.31 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 104963333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).