(NE)-6-methyl-N-(naphthalen-1-ylmethylidene)pyridine-2-sulfonamide

C17H14N2O2S — CID 135078728

IUPAC(NE)-6-methyl-N-(naphthalen-1-ylmethylidene)pyridine-2-sulfonamide
SMILESCc1cccc(S(=O)(=O)/N=C/c2cccc3ccccc23)n1
InChIInChI=1S/C17H14N2O2S/c1-13-6-4-11-17(19-13)22(20,21)18-12-15-9-5-8-14-7-2-3-10-16(14)15/h2-12H,1H3/b18-12+
InChIKeyZRAPQMJQRLCVJB-LDADJPATSA-N
MW310.38 g/mol
LogP3.35
Rot. Bonds3

About (NE)-6-methyl-N-(naphthalen-1-ylmethylidene)pyridine-2-sulfonamide

(NE)-6-methyl-N-(naphthalen-1-ylmethylidene)pyridine-2-sulfonamide (PubChem CID 135078728) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is (NE)-6-methyl-N-(naphthalen-1-ylmethylidene)pyridine-2-sulfonamide.

Molecular Properties

Compound Name(NE)-6-methyl-N-(naphthalen-1-ylmethylidene)pyridine-2-sulfonamide
PubChem CID135078728
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name(NE)-6-methyl-N-(naphthalen-1-ylmethylidene)pyridine-2-sulfonamide
SMILESCc1cccc(S(=O)(=O)/N=C/c2cccc3ccccc23)n1
InChIInChI=1S/C17H14N2O2S/c1-13-6-4-11-17(19-13)22(20,21)18-12-15-9-5-8-14-7-2-3-10-16(14)15/h2-12H,1H3/b18-12+
InChIKeyZRAPQMJQRLCVJB-LDADJPATSA-N
XLogP3.35
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(naphthalen-1-ylmethylidene)sulfamoyl fluoride
CID 175231621
1-naphthalen-1-yl-N-propan-2-ylmethanimine
CID 10352682
(E)-N-[4,6-bis[(E)-naphthalen-1-ylmethylideneamino]-1,3,5-triazin-2-yl]-1-naphthalen-1-ylmethanimine
CID 22086741
N-[(E)-naphthalen-1-ylmethylideneamino]methanamine
CID 110337745
naphthalene-1-carbaldehyde;zinc
CID 88790891
naphthalene-1-carbaldehyde;hydroiodide
CID 172736279
(NE)-N-benzylidenenaphthalene-1-sulfonamide
CID 15184776
[(Z)-naphthalen-1-ylmethylideneamino] acetate
CID 100995870
2-methyl-6-propan-2-ylsulfonylpyridine
CID 58180933
1-naphthalen-1-yl-N-phenylmethanimine
CID 615538
2-methyl-N-[(E)-naphthalen-1-ylmethylideneamino]propan-2-amine
CID 22891976
1,3-bis(naphthalen-1-ylmethylideneamino)thiourea
CID 5196948

Frequently Asked Questions

What is the IUPAC name of (NE)-6-methyl-N-(naphthalen-1-ylmethylidene)pyridine-2-sulfonamide?
The IUPAC name of (NE)-6-methyl-N-(naphthalen-1-ylmethylidene)pyridine-2-sulfonamide (CID 135078728) is (NE)-6-methyl-N-(naphthalen-1-ylmethylidene)pyridine-2-sulfonamide.
What is the SMILES notation for (NE)-6-methyl-N-(naphthalen-1-ylmethylidene)pyridine-2-sulfonamide?
The canonical SMILES for (NE)-6-methyl-N-(naphthalen-1-ylmethylidene)pyridine-2-sulfonamide is Cc1cccc(S(=O)(=O)/N=C/c2cccc3ccccc23)n1.
What is the InChIKey of (NE)-6-methyl-N-(naphthalen-1-ylmethylidene)pyridine-2-sulfonamide?
The InChIKey is ZRAPQMJQRLCVJB-LDADJPATSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-13-6-4-11-17(19-13)22(20,21)18-12-15-9-5-8-14-7-2-3-10-16(14)15/h2-12H,1H3/b18-12+.
What are the key properties of (NE)-6-methyl-N-(naphthalen-1-ylmethylidene)pyridine-2-sulfonamide?
(NE)-6-methyl-N-(naphthalen-1-ylmethylidene)pyridine-2-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-6-methyl-N-(naphthalen-1-ylmethylidene)pyridine-2-sulfonamide is sourced from PubChem (CID 135078728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).