(NE)-N-[4-(benzenesulfonyl)hept-6-enylidene]hydroxylamine

C13H17NO3S — CID 11659023

IUPAC(NE)-N-[4-(benzenesulfonyl)hept-6-enylidene]hydroxylamine
SMILESC=CCC(CC/C=N/O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H17NO3S/c1-2-7-12(10-6-11-14-15)18(16,17)13-8-4-3-5-9-13/h2-5,8-9,11-12,15H,1,6-7,10H2/b14-11+
InChIKeyUTXNCIUHVTXEIJ-SDNWHVSQSA-N
MW267.35 g/mol
LogP2.65
Rot. Bonds7

About (NE)-N-[4-(benzenesulfonyl)hept-6-enylidene]hydroxylamine

(NE)-N-[4-(benzenesulfonyl)hept-6-enylidene]hydroxylamine (PubChem CID 11659023) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is (NE)-N-[4-(benzenesulfonyl)hept-6-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[4-(benzenesulfonyl)hept-6-enylidene]hydroxylamine
PubChem CID11659023
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name(NE)-N-[4-(benzenesulfonyl)hept-6-enylidene]hydroxylamine
SMILESC=CCC(CC/C=N/O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H17NO3S/c1-2-7-12(10-6-11-14-15)18(16,17)13-8-4-3-5-9-13/h2-5,8-9,11-12,15H,1,6-7,10H2/b14-11+
InChIKeyUTXNCIUHVTXEIJ-SDNWHVSQSA-N
XLogP2.65
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[4-(benzenesulfonyl)hept-6-enylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzenesulfonyl)-N'-hydroxyethanimidamide
CID 2735439
N-Hydroxy-2-(phenylsulfonyl)ethanimidamide
CID 9580370
(2E)-1-(Phenylsulfonyl)acetone oxime
CID 9615976
4-Phenyl-2-(phenylsulfonyl)-3-butenal oxime
CID 5904850
(E)-N'-hydroxy-2-(phenylsulfonyl)acetimidamide
CID 5702783
4-(Phenylsulfonyl)-2-butanone oxime
CID 6346122
4-(phenylsulfonyl)-2-butanone O-methyloxime
CID 6374209
Phenylsulfonylacetone oxime
CID 822349
(NE)-N-[2-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine
CID 118209396
N-[2-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine
CID 118209397
N-[4-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine
CID 152543135
(NE,S)-2-methyl-N-(2-phenylsulfanylethylidene)propane-2-sulfinamide
CID 155929941

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[4-(benzenesulfonyl)hept-6-enylidene]hydroxylamine?
The IUPAC name of (NE)-N-[4-(benzenesulfonyl)hept-6-enylidene]hydroxylamine (CID 11659023) is (NE)-N-[4-(benzenesulfonyl)hept-6-enylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[4-(benzenesulfonyl)hept-6-enylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[4-(benzenesulfonyl)hept-6-enylidene]hydroxylamine is C=CCC(CC/C=N/O)S(=O)(=O)c1ccccc1.
What is the InChIKey of (NE)-N-[4-(benzenesulfonyl)hept-6-enylidene]hydroxylamine?
The InChIKey is UTXNCIUHVTXEIJ-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-2-7-12(10-6-11-14-15)18(16,17)13-8-4-3-5-9-13/h2-5,8-9,11-12,15H,1,6-7,10H2/b14-11+.
What are the key properties of (NE)-N-[4-(benzenesulfonyl)hept-6-enylidene]hydroxylamine?
(NE)-N-[4-(benzenesulfonyl)hept-6-enylidene]hydroxylamine has a molecular weight of 267.35 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[4-(benzenesulfonyl)hept-6-enylidene]hydroxylamine is sourced from PubChem (CID 11659023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).