methyl 6-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylate

C14H14N2O4S — CID 2764195

IUPACmethyl 6-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)nc1
InChIInChI=1S/C14H14N2O4S/c1-10-3-6-12(7-4-10)21(18,19)16-13-8-5-11(9-15-13)14(17)20-2/h3-9H,1-2H3,(H,15,16)
InChIKeyQHLDZCPKBKBYKO-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.98
Rot. Bonds4

About methyl 6-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylate

methyl 6-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylate (PubChem CID 2764195) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is methyl 6-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylate
PubChem CID2764195
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Namemethyl 6-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)nc1
InChIInChI=1S/C14H14N2O4S/c1-10-3-6-12(7-4-10)21(18,19)16-13-8-5-11(9-15-13)14(17)20-2/h3-9H,1-2H3,(H,15,16)
InChIKeyQHLDZCPKBKBYKO-UHFFFAOYSA-N
XLogP1.98
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylate (CID 2764195) is methyl 6-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylate is COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)nc1.
What is the InChIKey of methyl 6-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylate?
The InChIKey is QHLDZCPKBKBYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-10-3-6-12(7-4-10)21(18,19)16-13-8-5-11(9-15-13)14(17)20-2/h3-9H,1-2H3,(H,15,16).
What are the key properties of methyl 6-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylate?
methyl 6-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylate has a molecular weight of 306.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylate is sourced from PubChem (CID 2764195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).