N-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide

C18H20N4O4S2 — CID 171981444

IUPACN-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide
SMILESO=S(=O)(NN=C1CCC(=NNS(=O)(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C18H20N4O4S2/c23-27(24,17-7-3-1-4-8-17)21-19-15-11-13-16(14-12-15)20-22-28(25,26)18-9-5-2-6-10-18/h1-10,21-22H,11-14H2/b19-15-,20-16+
InChIKeyPWXFLQFQLPORFA-VBGLAJCLSA-N
MW420.52 g/mol
LogP2.23
Rot. Bonds6

About N-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide

N-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide (PubChem CID 171981444) has the molecular formula C18H20N4O4S2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide
PubChem CID171981444
Molecular FormulaC18H20N4O4S2
Molecular Weight420.52 g/mol
Exact Mass420.09
IUPAC NameN-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide
SMILESO=S(=O)(NN=C1CCC(=NNS(=O)(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C18H20N4O4S2/c23-27(24,17-7-3-1-4-8-17)21-19-15-11-13-16(14-12-15)20-22-28(25,26)18-9-5-2-6-10-18/h1-10,21-22H,11-14H2/b19-15-,20-16+
InChIKeyPWXFLQFQLPORFA-VBGLAJCLSA-N
XLogP2.23
TPSA117.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclooctylideneamino)benzenesulfonamide
CID 881753
4-chloro-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide
CID 3470758
4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide
CID 3540750
N-nitrosobenzenesulfonamide
CID 57254362
N-[(1-benzylpiperidin-4-ylidene)amino]-4-chlorobenzenesulfonamide
CID 3438181
4-bromo-N-(cyclooctylideneamino)benzenesulfonamide
CID 1012381
N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide
CID 59365939
N-(2-methylpropylideneamino)benzenesulfonamide
CID 4149632
N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-4-ethoxybenzenesulfonamide
CID 9078378
benzenesulfonohydrazide;hydrate
CID 21414143
N-[(E)-[(1R,2R,4R,5S)-6-tricyclo[3.2.1.02,4]octanylidene]amino]benzenesulfonamide
CID 99959368
N-[(E)-[(1R,2R,4S,5S)-6-tricyclo[3.2.1.02,4]octanylidene]amino]benzenesulfonamide
CID 124527575

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide?
The IUPAC name of N-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide (CID 171981444) is N-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide.
What is the SMILES notation for N-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide?
The canonical SMILES for N-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide is O=S(=O)(NN=C1CCC(=NNS(=O)(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide?
The InChIKey is PWXFLQFQLPORFA-VBGLAJCLSA-N. The full InChI is InChI=1S/C18H20N4O4S2/c23-27(24,17-7-3-1-4-8-17)21-19-15-11-13-16(14-12-15)20-22-28(25,26)18-9-5-2-6-10-18/h1-10,21-22H,11-14H2/b19-15-,20-16+.
What are the key properties of N-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide?
N-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide has a molecular weight of 420.52 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide is sourced from PubChem (CID 171981444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).