N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide

C13H16F3NO3S — CID 62361292

IUPACN-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO3S/c14-13(15,16)9-4-3-5-10(8-9)21(19,20)17-11-6-1-2-7-12(11)18/h3-5,8,11-12,17-18H,1-2,6-7H2
InChIKeyQQQPRRMUUQPWGB-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.29
Rot. Bonds3

About N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide

N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 62361292) has the molecular formula C13H16F3NO3S and a molecular weight of 323.34 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID62361292
Molecular FormulaC13H16F3NO3S
Molecular Weight323.34 g/mol
Exact Mass323.08
IUPAC NameN-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO3S/c14-13(15,16)9-4-3-5-10(8-9)21(19,20)17-11-6-1-2-7-12(11)18/h3-5,8,11-12,17-18H,1-2,6-7H2
InChIKeyQQQPRRMUUQPWGB-UHFFFAOYSA-N
XLogP2.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide
CID 119986055
3-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]benzoic acid
CID 107216276
3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104922365
N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11849343
1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
CID 154259938
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide
CID 104953174
4-amino-3-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 82844106
4-amino-3-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213611
N-[(1R,2R)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 155061379
N-(2-cyclohexyl-2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 56764333
N-(2-hydroxycyclohexyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 62359610
3-bromo-4-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 106546192

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide (CID 62361292) is N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1CCCCC1O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QQQPRRMUUQPWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3S/c14-13(15,16)9-4-3-5-10(8-9)21(19,20)17-11-6-1-2-7-12(11)18/h3-5,8,11-12,17-18H,1-2,6-7H2.
What are the key properties of N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 323.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 62361292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).