2-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride

C14H13ClN2O3S — CID 43108525

IUPAC2-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride
SMILESCc1cccc(C(=O)Nc2ccc(S(=O)(=O)Cl)c(C)c2)n1
InChIInChI=1S/C14H13ClN2O3S/c1-9-8-11(6-7-13(9)21(15,19)20)17-14(18)12-5-3-4-10(2)16-12/h3-8H,1-2H3,(H,17,18)
InChIKeyZOFWZTXIXOLTHU-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.88
Rot. Bonds3

About 2-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride

2-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride (PubChem CID 43108525) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 2-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride
PubChem CID43108525
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name2-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride
SMILESCc1cccc(C(=O)Nc2ccc(S(=O)(=O)Cl)c(C)c2)n1
InChIInChI=1S/C14H13ClN2O3S/c1-9-8-11(6-7-13(9)21(15,19)20)17-14(18)12-5-3-4-10(2)16-12/h3-8H,1-2H3,(H,17,18)
InChIKeyZOFWZTXIXOLTHU-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
N-[4-(methanesulfonamido)phenyl]-6-methylpyridine-2-carboxamide
CID 32696107
3-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride
CID 43095073
N-(4-iodophenyl)-6-methylpyridine-2-carboxamide
CID 31777667
N-(4-aminophenyl)-6-methylpyridine-2-carboxamide
CID 16784436
2-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
CID 65216260
6-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-2-carboxamide
CID 32544873
N-(3-formylphenyl)-6-methylpyridine-2-carboxamide
CID 106912611
6-methyl-N-[4-(sulfamoylmethyl)phenyl]pyridine-2-carboxamide
CID 60727200
methyl 4-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 31703569
6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 103874038
methyl 2-fluoro-5-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 32709892

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride?
The IUPAC name of 2-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride (CID 43108525) is 2-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 2-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 2-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride is Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Cl)c(C)c2)n1.
What is the InChIKey of 2-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride?
The InChIKey is ZOFWZTXIXOLTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-9-8-11(6-7-13(9)21(15,19)20)17-14(18)12-5-3-4-10(2)16-12/h3-8H,1-2H3,(H,17,18).
What are the key properties of 2-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride?
2-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride has a molecular weight of 324.79 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 43108525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).