5-[benzyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide

C28H23ClF3N3O3S — CID 4840368

IUPAC5-[benzyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide
SMILESO=C(NCCc1ccccn1)c1cc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C28H23ClF3N3O3S/c29-26-13-12-24(18-25(26)27(36)34-16-14-22-10-4-5-15-33-22)39(37,38)35(19-20-7-2-1-3-8-20)23-11-6-9-21(17-23)28(30,31)32/h1-13,15,17-18H,14,16,19H2,(H,34,36)
InChIKeyGIRKKEMNIDOVLG-UHFFFAOYSA-N
MW574.02 g/mol
LogP6.12
Rot. Bonds9

About 5-[benzyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide

5-[benzyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 4840368) has the molecular formula C28H23ClF3N3O3S and a molecular weight of 574.02 g/mol. Its IUPAC name is 5-[benzyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name5-[benzyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID4840368
Molecular FormulaC28H23ClF3N3O3S
Molecular Weight574.02 g/mol
Exact Mass573.11
IUPAC Name5-[benzyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide
SMILESO=C(NCCc1ccccn1)c1cc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C28H23ClF3N3O3S/c29-26-13-12-24(18-25(26)27(36)34-16-14-22-10-4-5-15-33-22)39(37,38)35(19-20-7-2-1-3-8-20)23-11-6-9-21(17-23)28(30,31)32/h1-13,15,17-18H,14,16,19H2,(H,34,36)
InChIKeyGIRKKEMNIDOVLG-UHFFFAOYSA-N
XLogP6.12
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.02
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-pyridin-2-ylethyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide;hydrochloride
CID 134105796
ethyl 2-[N-(3,4-dichlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetate
CID 50893211
2-chloro-5-(diethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 7732727
(2S)-2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-butyl-3-phenylpropanamide
CID 100690084
2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 132645902
2-[[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 1316081
2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132757984
2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]-benzylamino]-3-phenyl-N-propylpropanamide
CID 132641876
N-(2-pyridin-2-ylethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 39898328
2,5-dichloro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 114917187
(2S)-2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]-benzylamino]-N-methylpropanamide
CID 100562174
2-[benzyl-[2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-ethyl-3-phenylpropanamide
CID 132641875

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 5-[benzyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide (CID 4840368) is 5-[benzyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 5-[benzyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 5-[benzyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide is O=C(NCCc1ccccn1)c1cc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C(F)(F)F)c2)ccc1Cl.
What is the InChIKey of 5-[benzyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is GIRKKEMNIDOVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClF3N3O3S/c29-26-13-12-24(18-25(26)27(36)34-16-14-22-10-4-5-15-33-22)39(37,38)35(19-20-7-2-1-3-8-20)23-11-6-9-21(17-23)28(30,31)32/h1-13,15,17-18H,14,16,19H2,(H,34,36).
What are the key properties of 5-[benzyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide?
5-[benzyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 574.02 g/mol, XLogP of 6.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-2-chloro-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 4840368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).