N-[2-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide

C25H23ClF3N3O3S — CID 43876499

IUPACN-[2-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2Cl)cc1
InChIInChI=1S/C25H23ClF3N3O3S/c1-17-5-8-21(9-6-17)36(34,35)30-23-10-7-18(15-22(23)26)24(33)32-13-11-31(12-14-32)20-4-2-3-19(16-20)25(27,28)29/h2-10,15-16,30H,11-14H2,1H3
InChIKeyFVBBRWFCPJCIFP-UHFFFAOYSA-N
MW537.99 g/mol
LogP5.43
Rot. Bonds5

About N-[2-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide

N-[2-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 43876499) has the molecular formula C25H23ClF3N3O3S and a molecular weight of 537.99 g/mol. Its IUPAC name is N-[2-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide
PubChem CID43876499
Molecular FormulaC25H23ClF3N3O3S
Molecular Weight537.99 g/mol
Exact Mass537.11
IUPAC NameN-[2-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2Cl)cc1
InChIInChI=1S/C25H23ClF3N3O3S/c1-17-5-8-21(9-6-17)36(34,35)30-23-10-7-18(15-22(23)26)24(33)32-13-11-31(12-14-32)20-4-2-3-19(16-20)25(27,28)29/h2-10,15-16,30H,11-14H2,1H3
InChIKeyFVBBRWFCPJCIFP-UHFFFAOYSA-N
XLogP5.43
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.99
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide
CID 2401851
N-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide
CID 2967350
N-[2-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 30395425
[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 30796899
4-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 46291720
N-[3-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 46772565
N-(2-chlorophenyl)-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 4806668
N-[2-chloro-4-(4-formylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 92683589
N,N-diethyl-2-methyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide
CID 33232971
N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-chlorophenyl]-4-methylbenzenesulfonamide
CID 43915886
[4-[dimethylsulfamoyl(methyl)amino]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 92664254
pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2166152

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide (CID 43876499) is N-[2-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2Cl)cc1.
What is the InChIKey of N-[2-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is FVBBRWFCPJCIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF3N3O3S/c1-17-5-8-21(9-6-17)36(34,35)30-23-10-7-18(15-22(23)26)24(33)32-13-11-31(12-14-32)20-4-2-3-19(16-20)25(27,28)29/h2-10,15-16,30H,11-14H2,1H3.
What are the key properties of N-[2-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide?
N-[2-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 537.99 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 43876499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).