5-chloro-2-methylsulfonyl-N-pentylpyridine-4-carboxamide

C12H17ClN2O3S — CID 122134316

IUPAC5-chloro-2-methylsulfonyl-N-pentylpyridine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(S(C)(=O)=O)ncc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-3-4-5-6-14-12(16)9-7-11(19(2,17)18)15-8-10(9)13/h7-8H,3-6H2,1-2H3,(H,14,16)
InChIKeyKZVHTLNEQBBFHX-UHFFFAOYSA-N
MW304.80 g/mol
LogP2.06
Rot. Bonds6

About 5-chloro-2-methylsulfonyl-N-pentylpyridine-4-carboxamide

5-chloro-2-methylsulfonyl-N-pentylpyridine-4-carboxamide (PubChem CID 122134316) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 5-chloro-2-methylsulfonyl-N-pentylpyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-methylsulfonyl-N-pentylpyridine-4-carboxamide
PubChem CID122134316
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name5-chloro-2-methylsulfonyl-N-pentylpyridine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(S(C)(=O)=O)ncc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-3-4-5-6-14-12(16)9-7-11(19(2,17)18)15-8-10(9)13/h7-8H,3-6H2,1-2H3,(H,14,16)
InChIKeyKZVHTLNEQBBFHX-UHFFFAOYSA-N
XLogP2.06
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-pentylpyridine-4-carboxamide
CID 114917111
2-amino-5-chloro-N-octylpyridine-4-carboxamide
CID 114924255
4-chloro-N-decyl-6-methylpyridine-3-carboxamide
CID 81227523
N-butyl-5-chloro-2-methylsulfonylpyrimidine-4-carboxamide
CID 19155007
2,4-dichloro-N-pentyl-5-sulfamoylbenzamide
CID 60635006
2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65373631
2-chloro-5-(methylsulfamoyl)-N-pentylbenzamide
CID 46665691
5-chloro-2-(propylamino)-N-(3-sulfamoylpropyl)pyridine-4-carboxamide
CID 114922642
N-(5-amino-5-oxopentyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide
CID 106241124
2-bromo-4-chloro-5-(hexylcarbamoyl)benzenesulfonyl chloride
CID 65397654
2-chloro-N-undecylbenzamide
CID 3373978
2,4-dichloro-N-nonylbenzamide
CID 3596264

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylsulfonyl-N-pentylpyridine-4-carboxamide?
The IUPAC name of 5-chloro-2-methylsulfonyl-N-pentylpyridine-4-carboxamide (CID 122134316) is 5-chloro-2-methylsulfonyl-N-pentylpyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-methylsulfonyl-N-pentylpyridine-4-carboxamide?
The canonical SMILES for 5-chloro-2-methylsulfonyl-N-pentylpyridine-4-carboxamide is CCCCCNC(=O)c1cc(S(C)(=O)=O)ncc1Cl.
What is the InChIKey of 5-chloro-2-methylsulfonyl-N-pentylpyridine-4-carboxamide?
The InChIKey is KZVHTLNEQBBFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-3-4-5-6-14-12(16)9-7-11(19(2,17)18)15-8-10(9)13/h7-8H,3-6H2,1-2H3,(H,14,16).
What are the key properties of 5-chloro-2-methylsulfonyl-N-pentylpyridine-4-carboxamide?
5-chloro-2-methylsulfonyl-N-pentylpyridine-4-carboxamide has a molecular weight of 304.80 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylsulfonyl-N-pentylpyridine-4-carboxamide is sourced from PubChem (CID 122134316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).