4-(3-methyl-2-oxo-3,4-dihydro-1H-pyridin-6-yl)cyclohexa-1,5-diene-1-sulfonamide

C12H16N2O3S — CID 163645234

IUPAC4-(3-methyl-2-oxo-3,4-dihydro-1H-pyridin-6-yl)cyclohexa-1,5-diene-1-sulfonamide
SMILESCC1CC=C(C2C=CC(S(N)(=O)=O)=CC2)NC1=O
InChIInChI=1S/C12H16N2O3S/c1-8-2-7-11(14-12(8)15)9-3-5-10(6-4-9)18(13,16)17/h3,5-9H,2,4H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyIHRBKIWTOMWQFM-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.77
Rot. Bonds2

About 4-(3-methyl-2-oxo-3,4-dihydro-1H-pyridin-6-yl)cyclohexa-1,5-diene-1-sulfonamide

4-(3-methyl-2-oxo-3,4-dihydro-1H-pyridin-6-yl)cyclohexa-1,5-diene-1-sulfonamide (PubChem CID 163645234) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-(3-methyl-2-oxo-3,4-dihydro-1H-pyridin-6-yl)cyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound Name4-(3-methyl-2-oxo-3,4-dihydro-1H-pyridin-6-yl)cyclohexa-1,5-diene-1-sulfonamide
PubChem CID163645234
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name4-(3-methyl-2-oxo-3,4-dihydro-1H-pyridin-6-yl)cyclohexa-1,5-diene-1-sulfonamide
SMILESCC1CC=C(C2C=CC(S(N)(=O)=O)=CC2)NC1=O
InChIInChI=1S/C12H16N2O3S/c1-8-2-7-11(14-12(8)15)9-3-5-10(6-4-9)18(13,16)17/h3,5-9H,2,4H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyIHRBKIWTOMWQFM-UHFFFAOYSA-N
XLogP0.77
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2-oxo-3,4-dihydro-1H-pyridin-6-yl)cyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of 4-(3-methyl-2-oxo-3,4-dihydro-1H-pyridin-6-yl)cyclohexa-1,5-diene-1-sulfonamide (CID 163645234) is 4-(3-methyl-2-oxo-3,4-dihydro-1H-pyridin-6-yl)cyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for 4-(3-methyl-2-oxo-3,4-dihydro-1H-pyridin-6-yl)cyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for 4-(3-methyl-2-oxo-3,4-dihydro-1H-pyridin-6-yl)cyclohexa-1,5-diene-1-sulfonamide is CC1CC=C(C2C=CC(S(N)(=O)=O)=CC2)NC1=O.
What is the InChIKey of 4-(3-methyl-2-oxo-3,4-dihydro-1H-pyridin-6-yl)cyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is IHRBKIWTOMWQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-8-2-7-11(14-12(8)15)9-3-5-10(6-4-9)18(13,16)17/h3,5-9H,2,4H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of 4-(3-methyl-2-oxo-3,4-dihydro-1H-pyridin-6-yl)cyclohexa-1,5-diene-1-sulfonamide?
4-(3-methyl-2-oxo-3,4-dihydro-1H-pyridin-6-yl)cyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 268.34 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2-oxo-3,4-dihydro-1H-pyridin-6-yl)cyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 163645234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).