(NE)-N-[6,6-bis(benzenesulfonyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

C19H19NO5S2 — CID 135067019

IUPAC(NE)-N-[6,6-bis(benzenesulfonyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESO=S(=O)(c1ccccc1)C1(S(=O)(=O)c2ccccc2)CC2C/C(=N\O)C1C2
InChIInChI=1S/C19H19NO5S2/c21-20-18-12-14-11-17(18)19(13-14,26(22,23)15-7-3-1-4-8-15)27(24,25)16-9-5-2-6-10-16/h1-10,14,17,21H,11-13H2/b20-18+
InChIKeyMNISJTZAOIZSGE-CZIZESTLSA-N
MW405.50 g/mol
LogP2.89
Rot. Bonds4

About (NE)-N-[6,6-bis(benzenesulfonyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

(NE)-N-[6,6-bis(benzenesulfonyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (PubChem CID 135067019) has the molecular formula C19H19NO5S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is (NE)-N-[6,6-bis(benzenesulfonyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[6,6-bis(benzenesulfonyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
PubChem CID135067019
Molecular FormulaC19H19NO5S2
Molecular Weight405.50 g/mol
Exact Mass405.07
IUPAC Name(NE)-N-[6,6-bis(benzenesulfonyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESO=S(=O)(c1ccccc1)C1(S(=O)(=O)c2ccccc2)CC2C/C(=N\O)C1C2
InChIInChI=1S/C19H19NO5S2/c21-20-18-12-14-11-17(18)19(13-14,26(22,23)15-7-3-1-4-8-15)27(24,25)16-9-5-2-6-10-16/h1-10,14,17,21H,11-13H2/b20-18+
InChIKeyMNISJTZAOIZSGE-CZIZESTLSA-N
XLogP2.89
TPSA100.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (NE)-N-[6,6-bis(benzenesulfonyl)-2-bicyclo[2.2.1]heptanylidene]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

9,9-bis(benzenesulfonyl)tricyclo[4.2.2.02,5]deca-3,7-diene
CID 134117089
[1-(benzenesulfonyl)-2-(difluoromethyl)cyclopropyl]sulfonylbenzene
CID 122208595
(NE)-N-[1-(benzenesulfonyl)-2,5-dimethylpiperidin-4-ylidene]hydroxylamine
CID 6238586
1-(benzenesulfonyl)cyclopropan-1-ol
CID 24799052
[(2R)-1-(benzenesulfonyl)-2-(3,3-dimethylbut-1-ynyl)cyclopropyl]sulfonylbenzene
CID 102328450
(1S,4S,6R)-1-(benzenesulfonyl)-6-fluorobicyclo[2.2.1]hept-2-ene
CID 134986321
1-(benzenesulfonyl)bicyclo[2.1.0]pentane
CID 15737679
[(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene
CID 95562608
1-(benzenesulfonyl)-3-methylbicyclo[1.1.1]pentane
CID 45097762
1-(1-adamantyl)-3-(benzenesulfonyl)thiourea
CID 20571166
(1S,5R)-3-(benzenesulfonyl)-3-phenyl-6-oxabicyclo[3.1.0]hexane
CID 10870308
[(2S,3R,4R)-1-(benzenesulfonyl)-4-ethenyl-3-(iodomethyl)-2-methylcyclopentyl]sulfonylbenzene
CID 102329851

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[6,6-bis(benzenesulfonyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The IUPAC name of (NE)-N-[6,6-bis(benzenesulfonyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (CID 135067019) is (NE)-N-[6,6-bis(benzenesulfonyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[6,6-bis(benzenesulfonyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[6,6-bis(benzenesulfonyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is O=S(=O)(c1ccccc1)C1(S(=O)(=O)c2ccccc2)CC2C/C(=N\O)C1C2.
What is the InChIKey of (NE)-N-[6,6-bis(benzenesulfonyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The InChIKey is MNISJTZAOIZSGE-CZIZESTLSA-N. The full InChI is InChI=1S/C19H19NO5S2/c21-20-18-12-14-11-17(18)19(13-14,26(22,23)15-7-3-1-4-8-15)27(24,25)16-9-5-2-6-10-16/h1-10,14,17,21H,11-13H2/b20-18+.
What are the key properties of (NE)-N-[6,6-bis(benzenesulfonyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
(NE)-N-[6,6-bis(benzenesulfonyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine has a molecular weight of 405.50 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[6,6-bis(benzenesulfonyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is sourced from PubChem (CID 135067019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).