4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide

C20H19ClF4N2O3S — CID 55535479

IUPAC4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C20H19ClF4N2O3S/c21-17-11-16(8-9-18(17)22)31(29,30)27-14-6-4-12(5-7-14)19(28)26-15-3-1-2-13(10-15)20(23,24)25/h4-9,11,13,15,27H,1-3,10H2,(H,26,28)
InChIKeySVZOWKVBJMQDJX-UHFFFAOYSA-N
MW478.90 g/mol
LogP5.13
Rot. Bonds5

About 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide

4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 55535479) has the molecular formula C20H19ClF4N2O3S and a molecular weight of 478.90 g/mol. Its IUPAC name is 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID55535479
Molecular FormulaC20H19ClF4N2O3S
Molecular Weight478.90 g/mol
Exact Mass478.07
IUPAC Name4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C20H19ClF4N2O3S/c21-17-11-16(8-9-18(17)22)31(29,30)27-14-6-4-12(5-7-14)19(28)26-15-3-1-2-13(10-15)20(23,24)25/h4-9,11,13,15,27H,1-3,10H2,(H,26,28)
InChIKeySVZOWKVBJMQDJX-UHFFFAOYSA-N
XLogP5.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.90
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702556
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 42936334
N-(4-chloro-2-fluorophenyl)-4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzamide
CID 26696432
4-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-N-cyclopropylbenzamide
CID 39829528
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 764833
methyl 4-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 43000828
3-chloro-4-fluoro-N-[(1R,3R)-3-hydroxycyclohexyl]benzenesulfonamide
CID 95984027
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 26593242
3-chloro-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 43010282
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 43000805
4-[(3,4-dichlorophenyl)sulfonylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 27710577

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide (CID 55535479) is 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide is O=C(NC1CCCC(C(F)(F)F)C1)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is SVZOWKVBJMQDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF4N2O3S/c21-17-11-16(8-9-18(17)22)31(29,30)27-14-6-4-12(5-7-14)19(28)26-15-3-1-2-13(10-15)20(23,24)25/h4-9,11,13,15,27H,1-3,10H2,(H,26,28).
What are the key properties of 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 478.90 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 55535479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).