N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,6-difluorobenzenesulfonamide

C14H19F2NO2S — CID 11928435

IUPACN-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,6-difluorobenzenesulfonamide
SMILESC[C@@H]1[C@@H](C)CCC[C@H]1NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C14H19F2NO2S/c1-9-5-3-8-13(10(9)2)17-20(18,19)14-11(15)6-4-7-12(14)16/h4,6-7,9-10,13,17H,3,5,8H2,1-2H3/t9-,10+,13+/m0/s1
InChIKeyLRVMETGUGNLVQL-OPQQBVKSSA-N
MW303.37 g/mol
LogP3.07
Rot. Bonds3

About N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,6-difluorobenzenesulfonamide

N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,6-difluorobenzenesulfonamide (PubChem CID 11928435) has the molecular formula C14H19F2NO2S and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,6-difluorobenzenesulfonamide
PubChem CID11928435
Molecular FormulaC14H19F2NO2S
Molecular Weight303.37 g/mol
Exact Mass303.11
IUPAC NameN-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,6-difluorobenzenesulfonamide
SMILESC[C@@H]1[C@@H](C)CCC[C@H]1NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C14H19F2NO2S/c1-9-5-3-8-13(10(9)2)17-20(18,19)14-11(15)6-4-7-12(14)16/h4,6-7,9-10,13,17H,3,5,8H2,1-2H3/t9-,10+,13+/m0/s1
InChIKeyLRVMETGUGNLVQL-OPQQBVKSSA-N
XLogP3.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,6-difluorobenzenesulfonamide with MolForge

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Related Compounds

2,6-difluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695279
2-bromo-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11928444
4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11895768
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 7728447
4-(difluoromethylsulfonyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 98672836
4-(difluoromethylsulfonyl)-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 42958006
3-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 63288235
2,6-difluoro-N-[(1S,3S)-3-hydroxycyclohexyl]benzenesulfonamide
CID 95984042
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,6-difluorobenzamide
CID 124811505
2,6-difluoro-N-[(1R,3R)-3-hydroxycyclohexyl]benzenesulfonamide
CID 95984043
3-acetyl-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 43081984
2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 106491289

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,6-difluorobenzenesulfonamide (CID 11928435) is N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,6-difluorobenzenesulfonamide is C[C@@H]1[C@@H](C)CCC[C@H]1NS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,6-difluorobenzenesulfonamide?
The InChIKey is LRVMETGUGNLVQL-OPQQBVKSSA-N. The full InChI is InChI=1S/C14H19F2NO2S/c1-9-5-3-8-13(10(9)2)17-20(18,19)14-11(15)6-4-7-12(14)16/h4,6-7,9-10,13,17H,3,5,8H2,1-2H3/t9-,10+,13+/m0/s1.
What are the key properties of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,6-difluorobenzenesulfonamide?
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,6-difluorobenzenesulfonamide has a molecular weight of 303.37 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 11928435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).