N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide

C24H22ClF3N4O3S — CID 162607973

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESO=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H22ClF3N4O3S/c25-20-10-9-18(24(26,27)28)16-21(20)32(36(34,35)19-6-2-1-3-7-19)17-23(33)31-14-12-30(13-15-31)22-8-4-5-11-29-22/h1-11,16H,12-15,17H2
InChIKeyGWCVPYYVYNLLRZ-UHFFFAOYSA-N
MW538.98 g/mol
LogP4.30
Rot. Bonds6

About N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 162607973) has the molecular formula C24H22ClF3N4O3S and a molecular weight of 538.98 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
PubChem CID162607973
Molecular FormulaC24H22ClF3N4O3S
Molecular Weight538.98 g/mol
Exact Mass538.11
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESO=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H22ClF3N4O3S/c25-20-10-9-18(24(26,27)28)16-21(20)32(36(34,35)19-6-2-1-3-7-19)17-23(33)31-14-12-30(13-15-31)22-8-4-5-11-29-22/h1-11,16H,12-15,17H2
InChIKeyGWCVPYYVYNLLRZ-UHFFFAOYSA-N
XLogP4.30
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.98
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2768197
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 6615862
2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide
CID 1311493
N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 1120526
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3236086
2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-(2,6-difluorophenyl)acetamide
CID 2207937
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 1002172
(2R)-2-[[2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 125069307
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 1160808
N,4-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 2953239
N-[2-[2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-4-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 142345107
2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[(1-benzylpiperidin-4-ylidene)amino]acetamide
CID 126349041

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide (CID 162607973) is N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide is O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is GWCVPYYVYNLLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF3N4O3S/c25-20-10-9-18(24(26,27)28)16-21(20)32(36(34,35)19-6-2-1-3-7-19)17-23(33)31-14-12-30(13-15-31)22-8-4-5-11-29-22/h1-11,16H,12-15,17H2.
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 538.98 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 162607973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).