2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide

C14H20BrFN2O2S — CID 106491289

IUPAC2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2cc(Br)c(F)cc2N)C1C
InChIInChI=1S/C14H20BrFN2O2S/c1-8-4-3-5-13(9(8)2)18-21(19,20)14-6-10(15)11(16)7-12(14)17/h6-9,13,18H,3-5,17H2,1-2H3
InChIKeySYAZOGUKCQRNOM-UHFFFAOYSA-N
MW379.30 g/mol
LogP3.27
Rot. Bonds3

About 2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide

2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide (PubChem CID 106491289) has the molecular formula C14H20BrFN2O2S and a molecular weight of 379.30 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
PubChem CID106491289
Molecular FormulaC14H20BrFN2O2S
Molecular Weight379.30 g/mol
Exact Mass378.04
IUPAC Name2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2cc(Br)c(F)cc2N)C1C
InChIInChI=1S/C14H20BrFN2O2S/c1-8-4-3-5-13(9(8)2)18-21(19,20)14-6-10(15)11(16)7-12(14)17/h6-9,13,18H,3-5,17H2,1-2H3
InChIKeySYAZOGUKCQRNOM-UHFFFAOYSA-N
XLogP3.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 53.27
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

2-amino-5-bromo-4-fluoro-N-(2-methylcycloheptyl)benzenesulfonamide
CID 106491879
5-amino-2-chloro-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 61113212
5-amino-4-bromo-2-fluoro-N-(2-methylcycloheptyl)benzenesulfonamide
CID 116530440
2-bromo-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11928444
2-amino-N-(2,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide
CID 64907541
2-bromo-N-(2,3-dimethylcyclohexyl)-4,5-dimethoxybenzenesulfonamide
CID 55387058
2-amino-5-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 106491942
2-amino-5-bromo-4-fluoro-N-(thian-3-yl)benzenesulfonamide
CID 106492099
2-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-5-fluorobenzenesulfonamide
CID 106060261
2-amino-5-bromo-4-fluoro-N-(thiolan-3-yl)benzenesulfonamide
CID 106492192
4-bromo-5-fluoro-2-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 116735934
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,6-difluorobenzenesulfonamide
CID 11928435

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide (CID 106491289) is 2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide is CC1CCCC(NS(=O)(=O)c2cc(Br)c(F)cc2N)C1C.
What is the InChIKey of 2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide?
The InChIKey is SYAZOGUKCQRNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O2S/c1-8-4-3-5-13(9(8)2)18-21(19,20)14-6-10(15)11(16)7-12(14)17/h6-9,13,18H,3-5,17H2,1-2H3.
What are the key properties of 2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide?
2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide has a molecular weight of 379.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 106491289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).