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

C14H13ClN2O3S — CID 43096630

IUPAC4-[[(6-methylpyridine-2-carbonyl)amino]methyl]benzenesulfonyl chloride
SMILESCc1cccc(C(=O)NCc2ccc(S(=O)(=O)Cl)cc2)n1
InChIInChI=1S/C14H13ClN2O3S/c1-10-3-2-4-13(17-10)14(18)16-9-11-5-7-12(8-6-11)21(15,19)20/h2-8H,9H2,1H3,(H,16,18)
InChIKeyCALXOYSNHBOLEW-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.25
Rot. Bonds4

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

4-[[(6-methylpyridine-2-carbonyl)amino]methyl]benzenesulfonyl chloride (PubChem CID 43096630) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 4-[[(6-methylpyridine-2-carbonyl)amino]methyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[[(6-methylpyridine-2-carbonyl)amino]methyl]benzenesulfonyl chloride
PubChem CID43096630
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name4-[[(6-methylpyridine-2-carbonyl)amino]methyl]benzenesulfonyl chloride
SMILESCc1cccc(C(=O)NCc2ccc(S(=O)(=O)Cl)cc2)n1
InChIInChI=1S/C14H13ClN2O3S/c1-10-3-2-4-13(17-10)14(18)16-9-11-5-7-12(8-6-11)21(15,19)20/h2-8H,9H2,1H3,(H,16,18)
InChIKeyCALXOYSNHBOLEW-UHFFFAOYSA-N
XLogP2.25
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099042
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-6-methylpyridine-2-carboxamide
CID 76939160
3-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride
CID 43095073
4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
CID 98622583
6-N-(4-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097523
N-(2-chloropropyl)-6-methylpyridine-2-carboxamide
CID 114296366
2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097501
N-[(4-ethylsulfonylphenyl)methyl]pyridine-2-carboxamide
CID 110794533
N-[(3-carbamothioylphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 62311046
4-[(1H-pyrazole-4-carbonylamino)methyl]benzenesulfonyl chloride
CID 55179604
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409
6-methyl-N-[4-(sulfamoylmethyl)phenyl]pyridine-2-carboxamide
CID 60727200

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-methylpyridine-2-carbonyl)amino]methyl]benzenesulfonyl chloride?
The IUPAC name of 4-[[(6-methylpyridine-2-carbonyl)amino]methyl]benzenesulfonyl chloride (CID 43096630) is 4-[[(6-methylpyridine-2-carbonyl)amino]methyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[[(6-methylpyridine-2-carbonyl)amino]methyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[[(6-methylpyridine-2-carbonyl)amino]methyl]benzenesulfonyl chloride is Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)Cl)cc2)n1.
What is the InChIKey of 4-[[(6-methylpyridine-2-carbonyl)amino]methyl]benzenesulfonyl chloride?
The InChIKey is CALXOYSNHBOLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-10-3-2-4-13(17-10)14(18)16-9-11-5-7-12(8-6-11)21(15,19)20/h2-8H,9H2,1H3,(H,16,18).
What are the key properties of 4-[[(6-methylpyridine-2-carbonyl)amino]methyl]benzenesulfonyl chloride?
4-[[(6-methylpyridine-2-carbonyl)amino]methyl]benzenesulfonyl chloride has a molecular weight of 324.79 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-methylpyridine-2-carbonyl)amino]methyl]benzenesulfonyl chloride is sourced from PubChem (CID 43096630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).