N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide

C22H24ClF3N2O3S — CID 1296344

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C22H24ClF3N2O3S/c23-19-12-9-16(22(24,25)26)14-20(19)27-21(29)13-8-15-6-10-18(11-7-15)32(30,31)28-17-4-2-1-3-5-17/h6-7,9-12,14,17,28H,1-5,8,13H2,(H,27,29)
InChIKeyCCSZSDIAOCPKKO-UHFFFAOYSA-N
MW488.96 g/mol
LogP5.54
Rot. Bonds7

About N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide (PubChem CID 1296344) has the molecular formula C22H24ClF3N2O3S and a molecular weight of 488.96 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide
PubChem CID1296344
Molecular FormulaC22H24ClF3N2O3S
Molecular Weight488.96 g/mol
Exact Mass488.11
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C22H24ClF3N2O3S/c23-19-12-9-16(22(24,25)26)14-20(19)27-21(29)13-8-15-6-10-18(11-7-15)32(30,31)28-17-4-2-1-3-5-17/h6-7,9-12,14,17,28H,1-5,8,13H2,(H,27,29)
InChIKeyCCSZSDIAOCPKKO-UHFFFAOYSA-N
XLogP5.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.96
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 2981886
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 92645790
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 55577808
3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide
CID 126248632
3-[4-(cyclohexylsulfamoyl)phenyl]propanoate
CID 7330268
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,5-difluorophenyl)propanamide
CID 92645802
N-[(2-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 1211157
2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 25249574
3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 33161073
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide
CID 16567480
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-phenylpropanamide
CID 113000076

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide (CID 1296344) is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide is O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide?
The InChIKey is CCSZSDIAOCPKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF3N2O3S/c23-19-12-9-16(22(24,25)26)14-20(19)27-21(29)13-8-15-6-10-18(11-7-15)32(30,31)28-17-4-2-1-3-5-17/h6-7,9-12,14,17,28H,1-5,8,13H2,(H,27,29).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide has a molecular weight of 488.96 g/mol, XLogP of 5.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 1296344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).