N-(5-acetyl-2-pyridinyl)-4-methylbenzenesulfonamide

C14H14N2O3S — CID 100923791

IUPACN-(5-acetyl-2-pyridinyl)-4-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)nc1
InChIInChI=1S/C14H14N2O3S/c1-10-3-6-13(7-4-10)20(18,19)16-14-8-5-12(9-15-14)11(2)17/h3-9H,1-2H3,(H,15,16)
InChIKeyGINQDWKJLADZKH-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.39
Rot. Bonds4

About N-(5-acetyl-2-pyridinyl)-4-methylbenzenesulfonamide

N-(5-acetyl-2-pyridinyl)-4-methylbenzenesulfonamide (PubChem CID 100923791) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(5-acetyl-2-pyridinyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-acetyl-2-pyridinyl)-4-methylbenzenesulfonamide
PubChem CID100923791
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-(5-acetyl-2-pyridinyl)-4-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)nc1
InChIInChI=1S/C14H14N2O3S/c1-10-3-6-13(7-4-10)20(18,19)16-14-8-5-12(9-15-14)11(2)17/h3-9H,1-2H3,(H,15,16)
InChIKeyGINQDWKJLADZKH-UHFFFAOYSA-N
XLogP2.39
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(5-iodo-2-pyridinyl)benzenesulfonamide
CID 65098765
N-(5-acetyl-2-pyridinyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 69401317
N-(5-acetyl-2-pyridinyl)-4-(3-hydroxypropoxy)benzenesulfonamide
CID 131738517
N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide
CID 673877
N-[5-(hydroxymethyl)-2-pyridinyl]-4-methylbenzenesulfonamide
CID 82343399
N-(5-isocyano-2-pyridinyl)-4-methylbenzenesulfonamide
CID 156676151
(E)-3-[6-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]prop-2-enoic acid
CID 22986806
4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 669661
4-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 759580
N-(5-methyl-2-pyridinyl)-4-pyridin-4-ylbenzenesulfonamide
CID 110454365
N-(5-acetyl-2-pyridinyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 91662469
N-(4-methylphenyl)sulfonyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide
CID 129169127

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-pyridinyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-acetyl-2-pyridinyl)-4-methylbenzenesulfonamide (CID 100923791) is N-(5-acetyl-2-pyridinyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-acetyl-2-pyridinyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-acetyl-2-pyridinyl)-4-methylbenzenesulfonamide is CC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)nc1.
What is the InChIKey of N-(5-acetyl-2-pyridinyl)-4-methylbenzenesulfonamide?
The InChIKey is GINQDWKJLADZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-10-3-6-13(7-4-10)20(18,19)16-14-8-5-12(9-15-14)11(2)17/h3-9H,1-2H3,(H,15,16).
What are the key properties of N-(5-acetyl-2-pyridinyl)-4-methylbenzenesulfonamide?
N-(5-acetyl-2-pyridinyl)-4-methylbenzenesulfonamide has a molecular weight of 290.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-pyridinyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 100923791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).