N-(2-cyclohexyl-2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide

C15H20F3NO3S — CID 56764333

IUPACN-(2-cyclohexyl-2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)C1CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO3S/c16-15(17,18)12-7-4-8-13(9-12)23(21,22)19-10-14(20)11-5-2-1-3-6-11/h4,7-9,11,14,19-20H,1-3,5-6,10H2
InChIKeyUUGANMIJBMDXKH-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.92
Rot. Bonds5

About N-(2-cyclohexyl-2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide

N-(2-cyclohexyl-2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 56764333) has the molecular formula C15H20F3NO3S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID56764333
Molecular FormulaC15H20F3NO3S
Molecular Weight351.39 g/mol
Exact Mass351.11
IUPAC NameN-(2-cyclohexyl-2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)C1CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO3S/c16-15(17,18)12-7-4-8-13(9-12)23(21,22)19-10-14(20)11-5-2-1-3-6-11/h4,7-9,11,14,19-20H,1-3,5-6,10H2
InChIKeyUUGANMIJBMDXKH-UHFFFAOYSA-N
XLogP2.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-cyclopentyl-2-hydroxyethyl)benzenesulfonamide
CID 75469633
N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 103833984
N-(2-cyclohexyl-2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 56764321
3-acetyl-N-(2-cyclohexyl-2-hydroxyethyl)benzenesulfonamide
CID 90498860
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-methoxybenzenesulfonamide
CID 95367533
N-(2-cyclopentyl-2-hydroxyethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75453653
N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 44526975
N-[(2R)-3-(2,6-dimethylpiperidin-1-yl)-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 45480715
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90534857
1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
CID 154259938
N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3312193
3-amino-4-cyclohexyl-2-hydroxy-N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butyl]butanamide
CID 21198835

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 56764333) is N-(2-cyclohexyl-2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-cyclohexyl-2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-cyclohexyl-2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCC(O)C1CCCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-cyclohexyl-2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UUGANMIJBMDXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO3S/c16-15(17,18)12-7-4-8-13(9-12)23(21,22)19-10-14(20)11-5-2-1-3-6-11/h4,7-9,11,14,19-20H,1-3,5-6,10H2.
What are the key properties of N-(2-cyclohexyl-2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(2-cyclohexyl-2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 351.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 56764333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).