6-[4-[[(2-methoxyphenyl)sulfonylamino]methyl]phenyl]-2-methylpyridine-3-carboxamide

C21H21N3O4S — CID 92620827

IUPAC6-[4-[[(2-methoxyphenyl)sulfonylamino]methyl]phenyl]-2-methylpyridine-3-carboxamide
SMILESCOc1ccccc1S(=O)(=O)NCc1ccc(-c2ccc(C(N)=O)c(C)n2)cc1
InChIInChI=1S/C21H21N3O4S/c1-14-17(21(22)25)11-12-18(24-14)16-9-7-15(8-10-16)13-23-29(26,27)20-6-4-3-5-19(20)28-2/h3-12,23H,13H2,1-2H3,(H2,22,25)
InChIKeyQVHGKVNUEIXDMU-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.64
Rot. Bonds7

About 6-[4-[[(2-methoxyphenyl)sulfonylamino]methyl]phenyl]-2-methylpyridine-3-carboxamide

6-[4-[[(2-methoxyphenyl)sulfonylamino]methyl]phenyl]-2-methylpyridine-3-carboxamide (PubChem CID 92620827) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 6-[4-[[(2-methoxyphenyl)sulfonylamino]methyl]phenyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[[(2-methoxyphenyl)sulfonylamino]methyl]phenyl]-2-methylpyridine-3-carboxamide
PubChem CID92620827
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name6-[4-[[(2-methoxyphenyl)sulfonylamino]methyl]phenyl]-2-methylpyridine-3-carboxamide
SMILESCOc1ccccc1S(=O)(=O)NCc1ccc(-c2ccc(C(N)=O)c(C)n2)cc1
InChIInChI=1S/C21H21N3O4S/c1-14-17(21(22)25)11-12-18(24-14)16-9-7-15(8-10-16)13-23-29(26,27)20-6-4-3-5-19(20)28-2/h3-12,23H,13H2,1-2H3,(H2,22,25)
InChIKeyQVHGKVNUEIXDMU-UHFFFAOYSA-N
XLogP2.64
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[(2-methoxyphenyl)sulfonylamino]methyl]phenyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[[(2-methoxyphenyl)sulfonylamino]methyl]phenyl]-2-methylpyridine-3-carboxamide (CID 92620827) is 6-[4-[[(2-methoxyphenyl)sulfonylamino]methyl]phenyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[[(2-methoxyphenyl)sulfonylamino]methyl]phenyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[[(2-methoxyphenyl)sulfonylamino]methyl]phenyl]-2-methylpyridine-3-carboxamide is COc1ccccc1S(=O)(=O)NCc1ccc(-c2ccc(C(N)=O)c(C)n2)cc1.
What is the InChIKey of 6-[4-[[(2-methoxyphenyl)sulfonylamino]methyl]phenyl]-2-methylpyridine-3-carboxamide?
The InChIKey is QVHGKVNUEIXDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-14-17(21(22)25)11-12-18(24-14)16-9-7-15(8-10-16)13-23-29(26,27)20-6-4-3-5-19(20)28-2/h3-12,23H,13H2,1-2H3,(H2,22,25).
What are the key properties of 6-[4-[[(2-methoxyphenyl)sulfonylamino]methyl]phenyl]-2-methylpyridine-3-carboxamide?
6-[4-[[(2-methoxyphenyl)sulfonylamino]methyl]phenyl]-2-methylpyridine-3-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[(2-methoxyphenyl)sulfonylamino]methyl]phenyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 92620827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).