6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propylpyridine-2-carboxamide

C17H20ClN3O5S — CID 90271008

IUPAC6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1c(O)c(=O)cc(CNS(=O)(=O)c2cccc(Cl)c2)n1C
InChIInChI=1S/C17H20ClN3O5S/c1-3-7-19-17(24)15-16(23)14(22)9-12(21(15)2)10-20-27(25,26)13-6-4-5-11(18)8-13/h4-6,8-9,20,23H,3,7,10H2,1-2H3,(H,19,24)
InChIKeySQPKQRAASCHXJM-UHFFFAOYSA-N
MW413.88 g/mol
LogP1.36
Rot. Bonds7

About 6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propylpyridine-2-carboxamide

6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propylpyridine-2-carboxamide (PubChem CID 90271008) has the molecular formula C17H20ClN3O5S and a molecular weight of 413.88 g/mol. Its IUPAC name is 6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propylpyridine-2-carboxamide
PubChem CID90271008
Molecular FormulaC17H20ClN3O5S
Molecular Weight413.88 g/mol
Exact Mass413.08
IUPAC Name6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1c(O)c(=O)cc(CNS(=O)(=O)c2cccc(Cl)c2)n1C
InChIInChI=1S/C17H20ClN3O5S/c1-3-7-19-17(24)15-16(23)14(22)9-12(21(15)2)10-20-27(25,26)13-6-4-5-11(18)8-13/h4-6,8-9,20,23H,3,7,10H2,1-2H3,(H,19,24)
InChIKeySQPKQRAASCHXJM-UHFFFAOYSA-N
XLogP1.36
TPSA117.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.88
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propylpyridine-2-carboxamide?
The IUPAC name of 6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propylpyridine-2-carboxamide (CID 90271008) is 6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propylpyridine-2-carboxamide?
The canonical SMILES for 6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propylpyridine-2-carboxamide is CCCNC(=O)c1c(O)c(=O)cc(CNS(=O)(=O)c2cccc(Cl)c2)n1C.
What is the InChIKey of 6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propylpyridine-2-carboxamide?
The InChIKey is SQPKQRAASCHXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O5S/c1-3-7-19-17(24)15-16(23)14(22)9-12(21(15)2)10-20-27(25,26)13-6-4-5-11(18)8-13/h4-6,8-9,20,23H,3,7,10H2,1-2H3,(H,19,24).
What are the key properties of 6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propylpyridine-2-carboxamide?
6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propylpyridine-2-carboxamide has a molecular weight of 413.88 g/mol, XLogP of 1.36, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 90271008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).