4-methyl-N-[(6S)-5-oxo-2H-pyran-6-yl]benzenesulfonamide

C12H13NO4S — CID 71560269

IUPAC4-methyl-N-[(6S)-5-oxo-2H-pyran-6-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2OCC=CC2=O)cc1
InChIInChI=1S/C12H13NO4S/c1-9-4-6-10(7-5-9)18(15,16)13-12-11(14)3-2-8-17-12/h2-7,12-13H,8H2,1H3/t12-/m0/s1
InChIKeyZCJYQMIKHBVIFG-LBPRGKRZSA-N
MW267.31 g/mol
LogP0.75
Rot. Bonds3

About 4-methyl-N-[(6S)-5-oxo-2H-pyran-6-yl]benzenesulfonamide

4-methyl-N-[(6S)-5-oxo-2H-pyran-6-yl]benzenesulfonamide (PubChem CID 71560269) has the molecular formula C12H13NO4S and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-methyl-N-[(6S)-5-oxo-2H-pyran-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(6S)-5-oxo-2H-pyran-6-yl]benzenesulfonamide
PubChem CID71560269
Molecular FormulaC12H13NO4S
Molecular Weight267.31 g/mol
Exact Mass267.06
IUPAC Name4-methyl-N-[(6S)-5-oxo-2H-pyran-6-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2OCC=CC2=O)cc1
InChIInChI=1S/C12H13NO4S/c1-9-4-6-10(7-5-9)18(15,16)13-12-11(14)3-2-8-17-12/h2-7,12-13H,8H2,1H3/t12-/m0/s1
InChIKeyZCJYQMIKHBVIFG-LBPRGKRZSA-N
XLogP0.75
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopent-2-en-1-yl-4-methylbenzenesulfonamide
CID 11183983
4-methyl-N-[[(2R)-oxiran-2-yl]methyl]benzenesulfonamide
CID 10398836
N-[(1S,2S)-2-fluorocyclopropyl]-4-methylbenzenesulfonamide
CID 7154370
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-4-methylbenzenesulfonamide
CID 110125809
4-methyl-N-(1-methylpiperidin-2-yl)benzenesulfonamide
CID 57066316
4-methyl-N-[(1S)-1-[(2S)-oxiran-2-yl]ethyl]benzenesulfonamide
CID 10060253
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
4-methyl-N-oxidobenzenesulfonamide
CID 141387140
N-[(1S,3R)-3-amino-2,2,3-trimethylcyclopentyl]-4-methylbenzenesulfonamide
CID 102363883
4-methyl-N-[(1R,2R)-2-sulfanylcyclohexyl]benzenesulfonamide
CID 25140124

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(6S)-5-oxo-2H-pyran-6-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(6S)-5-oxo-2H-pyran-6-yl]benzenesulfonamide (CID 71560269) is 4-methyl-N-[(6S)-5-oxo-2H-pyran-6-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(6S)-5-oxo-2H-pyran-6-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(6S)-5-oxo-2H-pyran-6-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H]2OCC=CC2=O)cc1.
What is the InChIKey of 4-methyl-N-[(6S)-5-oxo-2H-pyran-6-yl]benzenesulfonamide?
The InChIKey is ZCJYQMIKHBVIFG-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13NO4S/c1-9-4-6-10(7-5-9)18(15,16)13-12-11(14)3-2-8-17-12/h2-7,12-13H,8H2,1H3/t12-/m0/s1.
What are the key properties of 4-methyl-N-[(6S)-5-oxo-2H-pyran-6-yl]benzenesulfonamide?
4-methyl-N-[(6S)-5-oxo-2H-pyran-6-yl]benzenesulfonamide has a molecular weight of 267.31 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(6S)-5-oxo-2H-pyran-6-yl]benzenesulfonamide is sourced from PubChem (CID 71560269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).