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

C14H13ClN2O3S — CID 43095073

IUPAC3-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride
SMILESCc1cccc(C(=O)Nc2ccc(S(=O)(=O)Cl)cc2C)n1
InChIInChI=1S/C14H13ClN2O3S/c1-9-8-11(21(15,19)20)6-7-12(9)17-14(18)13-5-3-4-10(2)16-13/h3-8H,1-2H3,(H,17,18)
InChIKeyAAHDAFUQNODKFN-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.88
Rot. Bonds3

About 3-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride

3-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride (PubChem CID 43095073) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 3-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride
PubChem CID43095073
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name3-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride
SMILESCc1cccc(C(=O)Nc2ccc(S(=O)(=O)Cl)cc2C)n1
InChIInChI=1S/C14H13ClN2O3S/c1-9-8-11(21(15,19)20)6-7-12(9)17-14(18)13-5-3-4-10(2)16-13/h3-8H,1-2H3,(H,17,18)
InChIKeyAAHDAFUQNODKFN-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-(2-fluoro-4-sulfamoylphenyl)-6-methylpyridine-2-carboxamide
CID 43246650
N-(2-chloro-5-methylsulfonylphenyl)-6-methylpyridine-2-carboxamide
CID 31930381
4-[[(6-methylpyridine-2-carbonyl)amino]methyl]benzenesulfonyl chloride
CID 43096630
N-(4-amino-2-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 16785445
2-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride
CID 43108525
N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 103274644
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylbenzenesulfonyl chloride
CID 43098424
3-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
CID 65216209
N-(2-hydroxy-4-methylphenyl)-6-methylpyridine-2-carboxamide
CID 60727615
N-(5-amino-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 16781532
4-[(5-fluoropyridine-3-carbonyl)amino]-3-methylbenzenesulfonyl chloride
CID 104785746
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-methylpyridine-2-carboxamide
CID 32930504

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride?
The IUPAC name of 3-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride (CID 43095073) is 3-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 3-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 3-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride is Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Cl)cc2C)n1.
What is the InChIKey of 3-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride?
The InChIKey is AAHDAFUQNODKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-9-8-11(21(15,19)20)6-7-12(9)17-14(18)13-5-3-4-10(2)16-13/h3-8H,1-2H3,(H,17,18).
What are the key properties of 3-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride?
3-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 3-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 43095073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).