N-[(E)-[(1R,2R,4R,5S)-6-tricyclo[3.2.1.02,4]octanylidene]amino]benzenesulfonamide

C14H16N2O2S — CID 99959368

IUPACN-[(E)-[(1R,2R,4R,5S)-6-tricyclo[3.2.1.02,4]octanylidene]amino]benzenesulfonamide
SMILESO=S(=O)(N/N=C1\C[C@H]2C[C@H]1[C@@H]1C[C@H]21)c1ccccc1
InChIInChI=1S/C14H16N2O2S/c17-19(18,10-4-2-1-3-5-10)16-15-14-7-9-6-13(14)12-8-11(9)12/h1-5,9,11-13,16H,6-8H2/b15-14+/t9-,11-,12-,13+/m1/s1
InChIKeyQFCWVCOGRCWGAS-NDDCWYIDSA-N
MW276.36 g/mol
LogP2.00
Rot. Bonds3

About N-[(E)-[(1R,2R,4R,5S)-6-tricyclo[3.2.1.02,4]octanylidene]amino]benzenesulfonamide

N-[(E)-[(1R,2R,4R,5S)-6-tricyclo[3.2.1.02,4]octanylidene]amino]benzenesulfonamide (PubChem CID 99959368) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(E)-[(1R,2R,4R,5S)-6-tricyclo[3.2.1.02,4]octanylidene]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-[(1R,2R,4R,5S)-6-tricyclo[3.2.1.02,4]octanylidene]amino]benzenesulfonamide
PubChem CID99959368
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[(E)-[(1R,2R,4R,5S)-6-tricyclo[3.2.1.02,4]octanylidene]amino]benzenesulfonamide
SMILESO=S(=O)(N/N=C1\C[C@H]2C[C@H]1[C@@H]1C[C@H]21)c1ccccc1
InChIInChI=1S/C14H16N2O2S/c17-19(18,10-4-2-1-3-5-10)16-15-14-7-9-6-13(14)12-8-11(9)12/h1-5,9,11-13,16H,6-8H2/b15-14+/t9-,11-,12-,13+/m1/s1
InChIKeyQFCWVCOGRCWGAS-NDDCWYIDSA-N
XLogP2.00
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(E)-[(1R,2R,4R,5S)-6-tricyclo[3.2.1.02,4]octanylidene]amino]benzenesulfonamide with MolForge

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Related Compounds

N-[(E)-[(1R,2R,4S,5S)-6-tricyclo[3.2.1.02,4]octanylidene]amino]benzenesulfonamide
CID 124527575
4-methyl-N-[(Z)-[(1S,2R,6S,7R)-8-tricyclo[5.2.1.02,6]decanylidene]amino]benzenesulfonamide
CID 98405958
4-methyl-N-[(Z)-[(1R,3R,6S,8S)-4-tricyclo[4.3.1.03,8]decanylidene]amino]benzenesulfonamide
CID 18389547
4-methyl-N-[(E)-[(1S,3R,6S,8S)-4-tricyclo[4.3.1.03,8]decanylidene]amino]benzenesulfonamide
CID 124772488
N-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide
CID 171981444
N-(cyclooctylideneamino)benzenesulfonamide
CID 881753
N-[(E)-[(1R,7S)-2-bicyclo[5.1.0]octanylidene]amino]-4-methylbenzenesulfonamide
CID 6860198
N-nitrosobenzenesulfonamide
CID 57254362
N-[(Z)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide
CID 5465867
N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide
CID 5468231
N-[(E)-1-cyclopropylethylideneamino]benzenesulfonamide
CID 6012000
4-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanylideneamino)aniline
CID 91942338

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(1R,2R,4R,5S)-6-tricyclo[3.2.1.02,4]octanylidene]amino]benzenesulfonamide?
The IUPAC name of N-[(E)-[(1R,2R,4R,5S)-6-tricyclo[3.2.1.02,4]octanylidene]amino]benzenesulfonamide (CID 99959368) is N-[(E)-[(1R,2R,4R,5S)-6-tricyclo[3.2.1.02,4]octanylidene]amino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-[(1R,2R,4R,5S)-6-tricyclo[3.2.1.02,4]octanylidene]amino]benzenesulfonamide?
The canonical SMILES for N-[(E)-[(1R,2R,4R,5S)-6-tricyclo[3.2.1.02,4]octanylidene]amino]benzenesulfonamide is O=S(=O)(N/N=C1\C[C@H]2C[C@H]1[C@@H]1C[C@H]21)c1ccccc1.
What is the InChIKey of N-[(E)-[(1R,2R,4R,5S)-6-tricyclo[3.2.1.02,4]octanylidene]amino]benzenesulfonamide?
The InChIKey is QFCWVCOGRCWGAS-NDDCWYIDSA-N. The full InChI is InChI=1S/C14H16N2O2S/c17-19(18,10-4-2-1-3-5-10)16-15-14-7-9-6-13(14)12-8-11(9)12/h1-5,9,11-13,16H,6-8H2/b15-14+/t9-,11-,12-,13+/m1/s1.
What are the key properties of N-[(E)-[(1R,2R,4R,5S)-6-tricyclo[3.2.1.02,4]octanylidene]amino]benzenesulfonamide?
N-[(E)-[(1R,2R,4R,5S)-6-tricyclo[3.2.1.02,4]octanylidene]amino]benzenesulfonamide has a molecular weight of 276.36 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(1R,2R,4R,5S)-6-tricyclo[3.2.1.02,4]octanylidene]amino]benzenesulfonamide is sourced from PubChem (CID 99959368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).