N-propan-2-yl-1-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide

C11H20F3NO2S — CID 172528636

IUPACN-propan-2-yl-1-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide
SMILESCC(C)NS(=O)(=O)CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2S/c1-8(2)15-18(16,17)7-9-3-5-10(6-4-9)11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyPCLJDHYNAWKOCN-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.68
Rot. Bonds4

About N-propan-2-yl-1-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide

N-propan-2-yl-1-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide (PubChem CID 172528636) has the molecular formula C11H20F3NO2S and a molecular weight of 287.35 g/mol. Its IUPAC name is N-propan-2-yl-1-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-1-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide
PubChem CID172528636
Molecular FormulaC11H20F3NO2S
Molecular Weight287.35 g/mol
Exact Mass287.12
IUPAC NameN-propan-2-yl-1-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide
SMILESCC(C)NS(=O)(=O)CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2S/c1-8(2)15-18(16,17)7-9-3-5-10(6-4-9)11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyPCLJDHYNAWKOCN-UHFFFAOYSA-N
XLogP2.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-pentan-3-ylmethanesulfonamide
CID 72148715
1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
CID 95733766
(3R)-3-amino-3-cyclohexyl-2,2-difluoropropane-1-sulfonic acid
CID 11521729
3-Amino-3-cyclohexyl-2,2-difluoropropane-1-sulfonic acid
CID 11694544
N-(2-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 18360967
(3S)-3-amino-3-cyclohexyl-2,2-difluoropropane-1-sulfonic acid
CID 58691942
N-[4-(aminomethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 132113259
N-[4-(2-aminoethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 155399157
N-butan-2-yl-3,5-diethyl-4,4,5-trifluoroheptane-3-sulfonamide
CID 155468035
1-(3-fluoro-4-methylcyclohexyl)-N-propan-2-ylmethanesulfonamide
CID 163584577
1-(4-fluorocyclohexyl)-N-propan-2-ylmethanesulfonamide
CID 164015551
1-(2-fluoro-4-methylcyclohexyl)-N-propan-2-ylmethanesulfonamide
CID 164018635

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide?
The IUPAC name of N-propan-2-yl-1-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide (CID 172528636) is N-propan-2-yl-1-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-propan-2-yl-1-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide?
The canonical SMILES for N-propan-2-yl-1-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide is CC(C)NS(=O)(=O)CC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-propan-2-yl-1-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide?
The InChIKey is PCLJDHYNAWKOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2S/c1-8(2)15-18(16,17)7-9-3-5-10(6-4-9)11(12,13)14/h8-10,15H,3-7H2,1-2H3.
What are the key properties of N-propan-2-yl-1-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide?
N-propan-2-yl-1-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide has a molecular weight of 287.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 172528636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).