5-chloro-6-oxo-N-(4-propylphenyl)sulfonyl-1H-pyridine-3-carboxamide

C15H15ClN2O4S — CID 71890957

IUPAC5-chloro-6-oxo-N-(4-propylphenyl)sulfonyl-1H-pyridine-3-carboxamide
SMILESCCCc1ccc(S(=O)(=O)NC(=O)c2c[nH]c(=O)c(Cl)c2)cc1
InChIInChI=1S/C15H15ClN2O4S/c1-2-3-10-4-6-12(7-5-10)23(21,22)18-14(19)11-8-13(16)15(20)17-9-11/h4-9H,2-3H2,1H3,(H,17,20)(H,18,19)
InChIKeyXWXVXSRAHPDRRQ-UHFFFAOYSA-N
MW354.82 g/mol
LogP2.10
Rot. Bonds5

About 5-chloro-6-oxo-N-(4-propylphenyl)sulfonyl-1H-pyridine-3-carboxamide

5-chloro-6-oxo-N-(4-propylphenyl)sulfonyl-1H-pyridine-3-carboxamide (PubChem CID 71890957) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is 5-chloro-6-oxo-N-(4-propylphenyl)sulfonyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-oxo-N-(4-propylphenyl)sulfonyl-1H-pyridine-3-carboxamide
PubChem CID71890957
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Name5-chloro-6-oxo-N-(4-propylphenyl)sulfonyl-1H-pyridine-3-carboxamide
SMILESCCCc1ccc(S(=O)(=O)NC(=O)c2c[nH]c(=O)c(Cl)c2)cc1
InChIInChI=1S/C15H15ClN2O4S/c1-2-3-10-4-6-12(7-5-10)23(21,22)18-14(19)11-8-13(16)15(20)17-9-11/h4-9H,2-3H2,1H3,(H,17,20)(H,18,19)
InChIKeyXWXVXSRAHPDRRQ-UHFFFAOYSA-N
XLogP2.10
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3-chlorophenyl)sulfonyl-6-oxo-1H-pyridine-3-carboxamide
CID 71939665
5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 110852311
5-chloro-6-oxo-1H-pyridine-3-carbohydrazide
CID 130843008
N-hydroxy-4-[[(4-propylphenyl)sulfonylamino]methyl]benzamide
CID 87748545
4-chloro-N-(4-chlorophenyl)sulfonyl-2-propylbenzamide
CID 11181426
5-chloro-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110850820
N-iodo-4-propylbenzenesulfonamide
CID 143564822
N-butyl-5-chloro-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 47293478
N-(4-acetylphenyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide
CID 110861200
ethyl 3-(5-chloro-6-oxo-1H-pyridin-3-yl)-2-(ethylamino)-3-oxopropanoate
CID 70374427
5-chloro-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-sulfonamide
CID 64608644
N-[4-(2-bromoethyl)phenyl]sulfonyl-4-tert-butylbenzamide
CID 18977847

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-oxo-N-(4-propylphenyl)sulfonyl-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-oxo-N-(4-propylphenyl)sulfonyl-1H-pyridine-3-carboxamide (CID 71890957) is 5-chloro-6-oxo-N-(4-propylphenyl)sulfonyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-oxo-N-(4-propylphenyl)sulfonyl-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-oxo-N-(4-propylphenyl)sulfonyl-1H-pyridine-3-carboxamide is CCCc1ccc(S(=O)(=O)NC(=O)c2c[nH]c(=O)c(Cl)c2)cc1.
What is the InChIKey of 5-chloro-6-oxo-N-(4-propylphenyl)sulfonyl-1H-pyridine-3-carboxamide?
The InChIKey is XWXVXSRAHPDRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-2-3-10-4-6-12(7-5-10)23(21,22)18-14(19)11-8-13(16)15(20)17-9-11/h4-9H,2-3H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 5-chloro-6-oxo-N-(4-propylphenyl)sulfonyl-1H-pyridine-3-carboxamide?
5-chloro-6-oxo-N-(4-propylphenyl)sulfonyl-1H-pyridine-3-carboxamide has a molecular weight of 354.82 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-oxo-N-(4-propylphenyl)sulfonyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71890957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).