(NE)-N-benzylidenenaphthalene-1-sulfonamide

C17H13NO2S — CID 15184776

IUPAC(NE)-N-benzylidenenaphthalene-1-sulfonamide
SMILESO=S(=O)(/N=C/c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C17H13NO2S/c19-21(20,18-13-14-7-2-1-3-8-14)17-12-6-10-15-9-4-5-11-16(15)17/h1-13H/b18-13+
InChIKeyKXPOCNGKJOVYKY-QGOAFFKASA-N
MW295.36 g/mol
LogP3.65
Rot. Bonds3

About (NE)-N-benzylidenenaphthalene-1-sulfonamide

(NE)-N-benzylidenenaphthalene-1-sulfonamide (PubChem CID 15184776) has the molecular formula C17H13NO2S and a molecular weight of 295.36 g/mol. Its IUPAC name is (NE)-N-benzylidenenaphthalene-1-sulfonamide.

Molecular Properties

Compound Name(NE)-N-benzylidenenaphthalene-1-sulfonamide
PubChem CID15184776
Molecular FormulaC17H13NO2S
Molecular Weight295.36 g/mol
Exact Mass295.07
IUPAC Name(NE)-N-benzylidenenaphthalene-1-sulfonamide
SMILESO=S(=O)(/N=C/c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C17H13NO2S/c19-21(20,18-13-14-7-2-1-3-8-14)17-12-6-10-15-9-4-5-11-16(15)17/h1-13H/b18-13+
InChIKeyKXPOCNGKJOVYKY-QGOAFFKASA-N
XLogP3.65
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-(morpholin-4-ylmethylidene)naphthalene-1-sulfonamide
CID 167439579
N-(sulfanylidenemethylidene)naphthalene-1-sulfonamide
CID 54080915
naphthalen-1-ylsulfonyl(triphenyl)-λ4-sulfane
CID 69106567
(NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenesulfonamide
CID 135452793
naphthalene-1-sulfonic acid
CID 158712346
1-methylsulfonylnaphthalene
CID 11206535
sodium;formamide;naphthalene-1-sulfonate
CID 159698402
N-(naphthalen-1-ylmethylidene)sulfamoyl fluoride
CID 175231621
(E)-1-naphthalen-1-ylsulfonyl-4-phenylbut-3-en-2-one
CID 102044266
2-[(4-methylphenyl)methylideneamino]sulfonylbenzoic acid
CID 70919615
CID 87877281
CID 87877281
aluminum naphthalene-1-sulfonic acid
CID 19753639

Frequently Asked Questions

What is the IUPAC name of (NE)-N-benzylidenenaphthalene-1-sulfonamide?
The IUPAC name of (NE)-N-benzylidenenaphthalene-1-sulfonamide (CID 15184776) is (NE)-N-benzylidenenaphthalene-1-sulfonamide.
What is the SMILES notation for (NE)-N-benzylidenenaphthalene-1-sulfonamide?
The canonical SMILES for (NE)-N-benzylidenenaphthalene-1-sulfonamide is O=S(=O)(/N=C/c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of (NE)-N-benzylidenenaphthalene-1-sulfonamide?
The InChIKey is KXPOCNGKJOVYKY-QGOAFFKASA-N. The full InChI is InChI=1S/C17H13NO2S/c19-21(20,18-13-14-7-2-1-3-8-14)17-12-6-10-15-9-4-5-11-16(15)17/h1-13H/b18-13+.
What are the key properties of (NE)-N-benzylidenenaphthalene-1-sulfonamide?
(NE)-N-benzylidenenaphthalene-1-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-benzylidenenaphthalene-1-sulfonamide is sourced from PubChem (CID 15184776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).