(NE)-N-[(E)-but-2-enylidene]benzenesulfonamide

C10H11NO2S — CID 11830668

IUPAC(NE)-N-[(E)-but-2-enylidene]benzenesulfonamide
SMILESC/C=C/C=N/S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H11NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h2-9H,1H3/b3-2+,11-9+
InChIKeyQSOZGJJUHZHILR-QDWNBNDKSA-N
MW209.27 g/mol
LogP2.02
Rot. Bonds3

About (NE)-N-[(E)-but-2-enylidene]benzenesulfonamide

(NE)-N-[(E)-but-2-enylidene]benzenesulfonamide (PubChem CID 11830668) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is (NE)-N-[(E)-but-2-enylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[(E)-but-2-enylidene]benzenesulfonamide
PubChem CID11830668
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name(NE)-N-[(E)-but-2-enylidene]benzenesulfonamide
SMILESC/C=C/C=N/S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H11NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h2-9H,1H3/b3-2+,11-9+
InChIKeyQSOZGJJUHZHILR-QDWNBNDKSA-N
XLogP2.02
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.02
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-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide
CID 177419048
N'-(benzenesulfonyl)methanimidamide
CID 69238367
(NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide
CID 19067517
ethyl N-(benzenesulfonyl)methanimidothioate
CID 68716188
N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propylidene]benzenesulfonamide
CID 155672633
[(4Z,6Z)-octa-1,4,6-trien-3-yl]sulfonylbenzene
CID 134219675
[(1Z,7E,9Z)-undeca-1,7,9-trienyl]sulfonylbenzene
CID 134980499
[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]sulfonylbenzene
CID 138738643
(NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide
CID 110518664
(NZ)-N-[(3-chlorophenyl)methylidene]benzenesulfonamide
CID 110518847
N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 2760734
chromium;(NE)-N-(pyrrol-1-id-2-ylmethylidene)benzenesulfonamide
CID 23578469

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(E)-but-2-enylidene]benzenesulfonamide?
The IUPAC name of (NE)-N-[(E)-but-2-enylidene]benzenesulfonamide (CID 11830668) is (NE)-N-[(E)-but-2-enylidene]benzenesulfonamide.
What is the SMILES notation for (NE)-N-[(E)-but-2-enylidene]benzenesulfonamide?
The canonical SMILES for (NE)-N-[(E)-but-2-enylidene]benzenesulfonamide is C/C=C/C=N/S(=O)(=O)c1ccccc1.
What is the InChIKey of (NE)-N-[(E)-but-2-enylidene]benzenesulfonamide?
The InChIKey is QSOZGJJUHZHILR-QDWNBNDKSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h2-9H,1H3/b3-2+,11-9+.
What are the key properties of (NE)-N-[(E)-but-2-enylidene]benzenesulfonamide?
(NE)-N-[(E)-but-2-enylidene]benzenesulfonamide has a molecular weight of 209.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(E)-but-2-enylidene]benzenesulfonamide is sourced from PubChem (CID 11830668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).