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

C15H21F2NO4S2 — CID 98672836

IUPAC4-(difluoromethylsulfonyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C15H21F2NO4S2/c1-10-4-3-5-14(11(10)2)18-24(21,22)13-8-6-12(7-9-13)23(19,20)15(16)17/h6-11,14-15,18H,3-5H2,1-2H3/t10-,11+,14+/m1/s1
InChIKeyBUMDPNBFATUOAP-SUNKGSAMSA-N
MW381.47 g/mol
LogP2.79
Rot. Bonds5

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

4-(difluoromethylsulfonyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide (PubChem CID 98672836) has the molecular formula C15H21F2NO4S2 and a molecular weight of 381.47 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
PubChem CID98672836
Molecular FormulaC15H21F2NO4S2
Molecular Weight381.47 g/mol
Exact Mass381.09
IUPAC Name4-(difluoromethylsulfonyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C15H21F2NO4S2/c1-10-4-3-5-14(11(10)2)18-24(21,22)13-8-6-12(7-9-13)23(19,20)15(16)17/h6-11,14-15,18H,3-5H2,1-2H3/t10-,11+,14+/m1/s1
InChIKeyBUMDPNBFATUOAP-SUNKGSAMSA-N
XLogP2.79
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-(difluoromethylsulfonyl)-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 42958006
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 7728447
4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11895768
4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11928439
4-[(2,3-dimethylcyclohexyl)sulfamoyl]benzenecarbothioamide
CID 43102649
N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 64907614
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
3-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 63288235
4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 801295
4-[(2-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958130
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,6-difluorobenzenesulfonamide
CID 11928435

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide (CID 98672836) is 4-(difluoromethylsulfonyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide is C[C@H]1[C@H](C)CCC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide?
The InChIKey is BUMDPNBFATUOAP-SUNKGSAMSA-N. The full InChI is InChI=1S/C15H21F2NO4S2/c1-10-4-3-5-14(11(10)2)18-24(21,22)13-8-6-12(7-9-13)23(19,20)15(16)17/h6-11,14-15,18H,3-5H2,1-2H3/t10-,11+,14+/m1/s1.
What are the key properties of 4-(difluoromethylsulfonyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide?
4-(difluoromethylsulfonyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide has a molecular weight of 381.47 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 98672836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).