N-[(4-ethylsulfonylphenyl)methyl]pyridine-2-carboxamide

C15H16N2O3S — CID 110794533

IUPACN-[(4-ethylsulfonylphenyl)methyl]pyridine-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2ccccn2)cc1
InChIInChI=1S/C15H16N2O3S/c1-2-21(19,20)13-8-6-12(7-9-13)11-17-15(18)14-5-3-4-10-16-14/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyQFTLURBOYCOHHD-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.81
Rot. Bonds5

About N-[(4-ethylsulfonylphenyl)methyl]pyridine-2-carboxamide

N-[(4-ethylsulfonylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 110794533) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[(4-ethylsulfonylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylsulfonylphenyl)methyl]pyridine-2-carboxamide
PubChem CID110794533
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-[(4-ethylsulfonylphenyl)methyl]pyridine-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2ccccn2)cc1
InChIInChI=1S/C15H16N2O3S/c1-2-21(19,20)13-8-6-12(7-9-13)11-17-15(18)14-5-3-4-10-16-14/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyQFTLURBOYCOHHD-UHFFFAOYSA-N
XLogP1.81
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 47160867
N-[(4-carbamoylphenyl)methyl]pyridine-2-carboxamide
CID 108743925
N-[[4-(2-methoxyethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 110793787
N-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide
CID 110795964
N-[(4-ethylsulfonylphenyl)methyl]carbamoyl chloride
CID 115194677
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 18119444
N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]pyridine-2-carboxamide
CID 164536999
N-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide
CID 46477958
N-[(3,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 47024016
N-[(4-ethoxy-3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 110793966
N-[4-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
CID 106910172
N-[(4-ethylsulfonylphenyl)methyl]-2-oxopropanamide
CID 115175667

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylsulfonylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(4-ethylsulfonylphenyl)methyl]pyridine-2-carboxamide (CID 110794533) is N-[(4-ethylsulfonylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-ethylsulfonylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(4-ethylsulfonylphenyl)methyl]pyridine-2-carboxamide is CCS(=O)(=O)c1ccc(CNC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[(4-ethylsulfonylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is QFTLURBOYCOHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-2-21(19,20)13-8-6-12(7-9-13)11-17-15(18)14-5-3-4-10-16-14/h3-10H,2,11H2,1H3,(H,17,18).
What are the key properties of N-[(4-ethylsulfonylphenyl)methyl]pyridine-2-carboxamide?
N-[(4-ethylsulfonylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylsulfonylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 110794533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).