N-[4-[(2-chlorophenyl)-methylsulfinamoyl]phenyl]pyridine-2-carboxamide

C19H16ClN3O2S — CID 91335326

IUPACN-[4-[(2-chlorophenyl)-methylsulfinamoyl]phenyl]pyridine-2-carboxamide
SMILESCN(c1ccccc1Cl)S(=O)c1ccc(NC(=O)c2ccccn2)cc1
InChIInChI=1S/C19H16ClN3O2S/c1-23(18-8-3-2-6-16(18)20)26(25)15-11-9-14(10-12-15)22-19(24)17-7-4-5-13-21-17/h2-13H,1H3,(H,22,24)
InChIKeyOGMUKRJCFAXKOA-UHFFFAOYSA-N
MW385.88 g/mol
LogP4.15
Rot. Bonds5

About N-[4-[(2-chlorophenyl)-methylsulfinamoyl]phenyl]pyridine-2-carboxamide

N-[4-[(2-chlorophenyl)-methylsulfinamoyl]phenyl]pyridine-2-carboxamide (PubChem CID 91335326) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is N-[4-[(2-chlorophenyl)-methylsulfinamoyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-chlorophenyl)-methylsulfinamoyl]phenyl]pyridine-2-carboxamide
PubChem CID91335326
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC NameN-[4-[(2-chlorophenyl)-methylsulfinamoyl]phenyl]pyridine-2-carboxamide
SMILESCN(c1ccccc1Cl)S(=O)c1ccc(NC(=O)c2ccccn2)cc1
InChIInChI=1S/C19H16ClN3O2S/c1-23(18-8-3-2-6-16(18)20)26(25)15-11-9-14(10-12-15)22-19(24)17-7-4-5-13-21-17/h2-13H,1H3,(H,22,24)
InChIKeyOGMUKRJCFAXKOA-UHFFFAOYSA-N
XLogP4.15
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516
dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide)
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N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfinyl)phenyl]pyridine-2-carboxamide
CID 91306213
N-(3,5-dichloro-4-hydroxyphenyl)pyridine-2-carboxamide
CID 82884387
N-(4-pyridin-2-ylphenyl)pyridine-2-carboxamide
CID 110461625
N-(4-benzoylphenyl)pyridine-2-carboxamide
CID 157248993
N-[4-(methylsulfonylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 146154862
N-(4-methylsulfinylphenyl)pyridine-2-carbothioamide
CID 14510237
N-[4-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
CID 106910172
N-(4-pyrazol-1-ylphenyl)pyridine-2-carboxamide
CID 35275358
N-[4-(2-chloroethyl)phenyl]pyridine-2-carboxamide
CID 113272163

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorophenyl)-methylsulfinamoyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[(2-chlorophenyl)-methylsulfinamoyl]phenyl]pyridine-2-carboxamide (CID 91335326) is N-[4-[(2-chlorophenyl)-methylsulfinamoyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(2-chlorophenyl)-methylsulfinamoyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(2-chlorophenyl)-methylsulfinamoyl]phenyl]pyridine-2-carboxamide is CN(c1ccccc1Cl)S(=O)c1ccc(NC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[4-[(2-chlorophenyl)-methylsulfinamoyl]phenyl]pyridine-2-carboxamide?
The InChIKey is OGMUKRJCFAXKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c1-23(18-8-3-2-6-16(18)20)26(25)15-11-9-14(10-12-15)22-19(24)17-7-4-5-13-21-17/h2-13H,1H3,(H,22,24).
What are the key properties of N-[4-[(2-chlorophenyl)-methylsulfinamoyl]phenyl]pyridine-2-carboxamide?
N-[4-[(2-chlorophenyl)-methylsulfinamoyl]phenyl]pyridine-2-carboxamide has a molecular weight of 385.88 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chlorophenyl)-methylsulfinamoyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 91335326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).