2-chloro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-5-pyrrolidin-1-ylsulfonylbenzamide

C17H15ClF3N3O4S — CID 55737240

IUPAC2-chloro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C17H15ClF3N3O4S/c18-13-4-3-11(29(27,28)24-5-1-2-6-24)8-12(13)15(25)23-14-7-10(17(19,20)21)9-22-16(14)26/h3-4,7-9H,1-2,5-6H2,(H,22,26)(H,23,25)
InChIKeyISWORPOKCFSEMD-UHFFFAOYSA-N
MW449.84 g/mol
LogP3.08
Rot. Bonds4

About 2-chloro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-5-pyrrolidin-1-ylsulfonylbenzamide

2-chloro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 55737240) has the molecular formula C17H15ClF3N3O4S and a molecular weight of 449.84 g/mol. Its IUPAC name is 2-chloro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID55737240
Molecular FormulaC17H15ClF3N3O4S
Molecular Weight449.84 g/mol
Exact Mass449.04
IUPAC Name2-chloro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C17H15ClF3N3O4S/c18-13-4-3-11(29(27,28)24-5-1-2-6-24)8-12(13)15(25)23-14-7-10(17(19,20)21)9-22-16(14)26/h3-4,7-9H,1-2,5-6H2,(H,22,26)(H,23,25)
InChIKeyISWORPOKCFSEMD-UHFFFAOYSA-N
XLogP3.08
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.84
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26087816
2-chloro-5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 29427087
2-chloro-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26727587
3-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1315383
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 55712190
2-chloro-5-methylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55817625
1-(2-chlorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrazole-3-carboxamide
CID 49327084
N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 1240122
methyl 2-chloro-5-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 38238302
2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9341600
2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3387472
5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
CID 4085587

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-5-pyrrolidin-1-ylsulfonylbenzamide (CID 55737240) is 2-chloro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-5-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is ISWORPOKCFSEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O4S/c18-13-4-3-11(29(27,28)24-5-1-2-6-24)8-12(13)15(25)23-14-7-10(17(19,20)21)9-22-16(14)26/h3-4,7-9H,1-2,5-6H2,(H,22,26)(H,23,25).
What are the key properties of 2-chloro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-5-pyrrolidin-1-ylsulfonylbenzamide?
2-chloro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 449.84 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55737240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).