N-cyclohexyl-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide

C16H22F3NO3S — CID 136517168

IUPACN-cyclohexyl-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H22F3NO3S/c1-12(21)11-20(13-7-3-2-4-8-13)24(22,23)15-10-6-5-9-14(15)16(17,18)19/h5-6,9-10,12-13,21H,2-4,7-8,11H2,1H3
InChIKeyHZHBWLPAFVZGMR-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.41
Rot. Bonds5

About N-cyclohexyl-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide

N-cyclohexyl-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 136517168) has the molecular formula C16H22F3NO3S and a molecular weight of 365.42 g/mol. Its IUPAC name is N-cyclohexyl-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID136517168
Molecular FormulaC16H22F3NO3S
Molecular Weight365.42 g/mol
Exact Mass365.13
IUPAC NameN-cyclohexyl-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H22F3NO3S/c1-12(21)11-20(13-7-3-2-4-8-13)24(22,23)15-10-6-5-9-14(15)16(17,18)19/h5-6,9-10,12-13,21H,2-4,7-8,11H2,1H3
InChIKeyHZHBWLPAFVZGMR-UHFFFAOYSA-N
XLogP3.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclohexyl(2-hydroxypropyl)sulfamoyl]benzoic acid
CID 154782398
2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 8815605
N-(2-bromoethyl)-N-cyclopropyl-2-(trifluoromethyl)benzenesulfonamide
CID 80667364
N-(1-chloropropan-2-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 104556465
3-hydroxybutyl 2-(trifluoromethyl)benzenesulfonate
CID 86761982
2-azido-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 169326125
2-(5-formylfuran-2-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 169334975
N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide
CID 55469731
2-[2-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-ol
CID 106585400
2-chloro-N'-[2-[2-hydroxypropyl-(4-methylcyclohexyl)sulfamoyl]phenyl]ethanimidamide
CID 169368471
1-[cyclohexyl-[ethyl(methyl)sulfamoyl]amino]propan-2-ol
CID 75387096
N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 64911010

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide (CID 136517168) is N-cyclohexyl-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide is CC(O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-cyclohexyl-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HZHBWLPAFVZGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO3S/c1-12(21)11-20(13-7-3-2-4-8-13)24(22,23)15-10-6-5-9-14(15)16(17,18)19/h5-6,9-10,12-13,21H,2-4,7-8,11H2,1H3.
What are the key properties of N-cyclohexyl-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide?
N-cyclohexyl-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 365.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 136517168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).