N-(2-chloro-5-methylsulfonylphenyl)-6-methylpyridine-2-carboxamide

C14H13ClN2O3S — CID 31930381

IUPACN-(2-chloro-5-methylsulfonylphenyl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)n1
InChIInChI=1S/C14H13ClN2O3S/c1-9-4-3-5-12(16-9)14(18)17-13-8-10(21(2,19)20)6-7-11(13)15/h3-8H,1-2H3,(H,17,18)
InChIKeyGNDMXKNSDPAGMK-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.70
Rot. Bonds3

About N-(2-chloro-5-methylsulfonylphenyl)-6-methylpyridine-2-carboxamide

N-(2-chloro-5-methylsulfonylphenyl)-6-methylpyridine-2-carboxamide (PubChem CID 31930381) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is N-(2-chloro-5-methylsulfonylphenyl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylsulfonylphenyl)-6-methylpyridine-2-carboxamide
PubChem CID31930381
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC NameN-(2-chloro-5-methylsulfonylphenyl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)n1
InChIInChI=1S/C14H13ClN2O3S/c1-9-4-3-5-12(16-9)14(18)17-13-8-10(21(2,19)20)6-7-11(13)15/h3-8H,1-2H3,(H,17,18)
InChIKeyGNDMXKNSDPAGMK-UHFFFAOYSA-N
XLogP2.70
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide
CID 8913728
N-(2-chloro-5-methylsulfonylphenyl)benzamide
CID 8913636
N-(3-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 31759188
6-chloro-N-(2-fluoro-5-methylsulfonylphenyl)pyridine-2-carboxamide
CID 62234738
2-chloro-N-(2-chloro-5-methylsulfonylphenyl)furan-3-carboxamide
CID 106685589
3-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride
CID 43095073
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-6-methylpyridine-2-carboxamide
CID 60532137
N-(4-amino-2-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 16785445
N-(3-bromo-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 113230237
N-(2-fluoro-4-sulfamoylphenyl)-6-methylpyridine-2-carboxamide
CID 43246650
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-methylpyridine-2-carboxamide
CID 32930504
6-methyl-N-(2-methyl-3-sulfamoylphenyl)pyridine-2-carboxamide
CID 61129334

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-6-methylpyridine-2-carboxamide (CID 31930381) is N-(2-chloro-5-methylsulfonylphenyl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methylsulfonylphenyl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(2-chloro-5-methylsulfonylphenyl)-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)n1.
What is the InChIKey of N-(2-chloro-5-methylsulfonylphenyl)-6-methylpyridine-2-carboxamide?
The InChIKey is GNDMXKNSDPAGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-9-4-3-5-12(16-9)14(18)17-13-8-10(21(2,19)20)6-7-11(13)15/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-(2-chloro-5-methylsulfonylphenyl)-6-methylpyridine-2-carboxamide?
N-(2-chloro-5-methylsulfonylphenyl)-6-methylpyridine-2-carboxamide has a molecular weight of 324.79 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylsulfonylphenyl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 31930381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).