N-(4-hydroxycyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide

C14H18F3NO3S — CID 11652958

IUPACN-(4-hydroxycyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide
SMILESCN(C1CCC(O)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO3S/c1-18(11-4-6-12(19)7-5-11)22(20,21)13-8-2-10(3-9-13)14(15,16)17/h2-3,8-9,11-12,19H,4-7H2,1H3
InChIKeyCLSWMBLCHOVNKW-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.63
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide

N-(4-hydroxycyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 11652958) has the molecular formula C14H18F3NO3S and a molecular weight of 337.36 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide
PubChem CID11652958
Molecular FormulaC14H18F3NO3S
Molecular Weight337.36 g/mol
Exact Mass337.10
IUPAC NameN-(4-hydroxycyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide
SMILESCN(C1CCC(O)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO3S/c1-18(11-4-6-12(19)7-5-11)22(20,21)13-8-2-10(3-9-13)14(15,16)17/h2-3,8-9,11-12,19H,4-7H2,1H3
InChIKeyCLSWMBLCHOVNKW-UHFFFAOYSA-N
XLogP2.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide (CID 11652958) is N-(4-hydroxycyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide is CN(C1CCC(O)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CLSWMBLCHOVNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3S/c1-18(11-4-6-12(19)7-5-11)22(20,21)13-8-2-10(3-9-13)14(15,16)17/h2-3,8-9,11-12,19H,4-7H2,1H3.
What are the key properties of N-(4-hydroxycyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide?
N-(4-hydroxycyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 337.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 11652958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).