N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide

C15H20F3NO3S — CID 22568017

IUPACN-[4-(hydroxymethyl)cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
SMILESCN(C1CCC(CO)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO3S/c1-19(13-6-2-11(10-20)3-7-13)23(21,22)14-8-4-12(5-9-14)15(16,17)18/h4-5,8-9,11,13,20H,2-3,6-7,10H2,1H3
InChIKeyBJUGYCWRHHNVRD-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.88
Rot. Bonds4

About N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide

N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 22568017) has the molecular formula C15H20F3NO3S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
PubChem CID22568017
Molecular FormulaC15H20F3NO3S
Molecular Weight351.39 g/mol
Exact Mass351.11
IUPAC NameN-[4-(hydroxymethyl)cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
SMILESCN(C1CCC(CO)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO3S/c1-19(13-6-2-11(10-20)3-7-13)23(21,22)14-8-4-12(5-9-14)15(16,17)18/h4-5,8-9,11,13,20H,2-3,6-7,10H2,1H3
InChIKeyBJUGYCWRHHNVRD-UHFFFAOYSA-N
XLogP2.88
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide (CID 22568017) is N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide is CN(C1CCC(CO)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BJUGYCWRHHNVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO3S/c1-19(13-6-2-11(10-20)3-7-13)23(21,22)14-8-4-12(5-9-14)15(16,17)18/h4-5,8-9,11,13,20H,2-3,6-7,10H2,1H3.
What are the key properties of N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide?
N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 351.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 22568017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).