4-cyclohexyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide

C18H18F3NO2S — CID 7939033

IUPAC4-cyclohexyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1F)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H18F3NO2S/c19-15-10-11-16(18(21)17(15)20)22-25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-12,22H,1-5H2
InChIKeyCXYSYKIUEKNSBX-UHFFFAOYSA-N
MW369.41 g/mol
LogP4.95
Rot. Bonds4

About 4-cyclohexyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide

4-cyclohexyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide (PubChem CID 7939033) has the molecular formula C18H18F3NO2S and a molecular weight of 369.41 g/mol. Its IUPAC name is 4-cyclohexyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
PubChem CID7939033
Molecular FormulaC18H18F3NO2S
Molecular Weight369.41 g/mol
Exact Mass369.10
IUPAC Name4-cyclohexyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1F)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H18F3NO2S/c19-15-10-11-16(18(21)17(15)20)22-25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-12,22H,1-5H2
InChIKeyCXYSYKIUEKNSBX-UHFFFAOYSA-N
XLogP4.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-cyclohexyl-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 7940687
2-[(4-cyclohexylphenyl)sulfonylamino]-5-(trifluoromethyl)benzoic acid
CID 171356961
N-(2,3,4-trifluorophenyl)naphthalene-2-sulfonamide
CID 9464601
methyl 4-[[4-(4-cyclohexylphenyl)-3-fluorophenyl]sulfonylamino]-3-methoxybenzoate
CID 167476700
N-cyclopentyl-3-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide
CID 109063262
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 3855211
4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 35539697
6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide
CID 29044411
4-cyclohexyl-N-[4-[(R)-methylsulfinyl]phenyl]benzenesulfonamide
CID 95781125
4-cyclohexyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532736
4-cyclohexyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 18515473
4-fluoro-N-[4-(2,3,4-trifluoroanilino)phenyl]benzenesulfonamide
CID 112990183

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The IUPAC name of 4-cyclohexyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide (CID 7939033) is 4-cyclohexyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-cyclohexyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-cyclohexyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)c(F)c1F)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The InChIKey is CXYSYKIUEKNSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2S/c19-15-10-11-16(18(21)17(15)20)22-25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-12,22H,1-5H2.
What are the key properties of 4-cyclohexyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
4-cyclohexyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide has a molecular weight of 369.41 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide is sourced from PubChem (CID 7939033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).