4-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C18H17ClF3N3O3S — CID 1297080

IUPAC4-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H17ClF3N3O3S/c19-13-5-7-14(8-6-13)29(27,28)25-11-9-24(10-12-25)17(26)23-16-4-2-1-3-15(16)18(20,21)22/h1-8H,9-12H2,(H,23,26)
InChIKeyWYUIOGMXWJDHQM-UHFFFAOYSA-N
MW447.87 g/mol
LogP3.90
Rot. Bonds3

About 4-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 1297080) has the molecular formula C18H17ClF3N3O3S and a molecular weight of 447.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID1297080
Molecular FormulaC18H17ClF3N3O3S
Molecular Weight447.87 g/mol
Exact Mass447.06
IUPAC Name4-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H17ClF3N3O3S/c19-13-5-7-14(8-6-13)29(27,28)25-11-9-24(10-12-25)17(26)23-16-4-2-1-3-15(16)18(20,21)22/h1-8H,9-12H2,(H,23,26)
InChIKeyWYUIOGMXWJDHQM-UHFFFAOYSA-N
XLogP3.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.87
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-Chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 60446869
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[(4-sulfamoylphenyl)methyl]urea
CID 127573780
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-N'-[2-(trifluoromethyl)phenyl]urea
CID 15989718
1-(3-(4-Isopropylpiperazin-1-ylsulfonyl)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 24895838
1-(4-(4-Isopropylpiperazin-1-ylsulfonyl)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 24895839
2-chloro-4-fluoro-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide
CID 71272293
4-(4-chlorophenyl)sulfonyl-N-(2-fluorophenyl)piperazine-1-carbothioamide
CID 2446123
N-(4-chloro-2-methylphenyl)-N'-{1-[(4-fluorophenyl)sulfonyl]-4-piperidinyl}urea
CID 3723578
4-(benzenesulfonyl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6466750
4-(3-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 24650532
1-(4-Aminosulfonyl-anilinoformyl)-4-benzyl-piperazine
CID 27869236
4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 27869546

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 1297080) is 4-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is O=C(Nc1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is WYUIOGMXWJDHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O3S/c19-13-5-7-14(8-6-13)29(27,28)25-11-9-24(10-12-25)17(26)23-16-4-2-1-3-15(16)18(20,21)22/h1-8H,9-12H2,(H,23,26).
What are the key properties of 4-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 447.87 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 1297080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).