4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide

C14H20BrNO2S — CID 11895768

IUPAC4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2S/c1-10-4-3-5-14(11(10)2)16-19(17,18)13-8-6-12(15)7-9-13/h6-11,14,16H,3-5H2,1-2H3/t10-,11-,14-/m1/s1
InChIKeyBBQOKWPZUSZFOQ-JTNHKYCSSA-N
MW346.29 g/mol
LogP3.55
Rot. Bonds3

About 4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide

4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide (PubChem CID 11895768) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is 4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
PubChem CID11895768
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC Name4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2S/c1-10-4-3-5-14(11(10)2)16-19(17,18)13-8-6-12(15)7-9-13/h6-11,14,16H,3-5H2,1-2H3/t10-,11-,14-/m1/s1
InChIKeyBBQOKWPZUSZFOQ-JTNHKYCSSA-N
XLogP3.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide with MolForge

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Related Compounds

N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 7728447
4-(difluoromethylsulfonyl)-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 42958006
4-(difluoromethylsulfonyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 98672836
4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11928439
4-[(2,3-dimethylcyclohexyl)sulfamoyl]benzenecarbothioamide
CID 43102649
6-chloro-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyridine-3-sulfonamide
CID 124835688
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 11880721
N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 64907614
2-bromo-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11928444
N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64923273
4-bromo-N-[2-(bromomethyl)cyclopentyl]benzenesulfonamide
CID 106367478
2-amino-N-(2,3-dimethylcyclohexyl)pyridine-4-sulfonamide
CID 55044375

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide (CID 11895768) is 4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide is C[C@@H]1[C@H](C)CCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide?
The InChIKey is BBQOKWPZUSZFOQ-JTNHKYCSSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-10-4-3-5-14(11(10)2)16-19(17,18)13-8-6-12(15)7-9-13/h6-11,14,16H,3-5H2,1-2H3/t10-,11-,14-/m1/s1.
What are the key properties of 4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide?
4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide has a molecular weight of 346.29 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 11895768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).