N-[(E)-4-[(1S,2R)-2-(2,2-diphenylhydrazinyl)cyclopentyl]butylideneamino]-4-methylbenzenesulfonamide

C28H34N4O2S — CID 10743681

IUPACN-[(E)-4-[(1S,2R)-2-(2,2-diphenylhydrazinyl)cyclopentyl]butylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/CCC[C@@H]2CCC[C@H]2NN(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H34N4O2S/c1-23-18-20-27(21-19-23)35(33,34)31-29-22-9-8-11-24-12-10-17-28(24)30-32(25-13-4-2-5-14-25)26-15-6-3-7-16-26/h2-7,13-16,18-22,24,28,30-31H,8-12,17H2,1H3/b29-22+/t24-,28-/m1/s1
InChIKeyXIJSMVBNPRBASO-YHRVQHAOSA-N
MW490.67 g/mol
LogP5.94
Rot. Bonds11

About N-[(E)-4-[(1S,2R)-2-(2,2-diphenylhydrazinyl)cyclopentyl]butylideneamino]-4-methylbenzenesulfonamide

N-[(E)-4-[(1S,2R)-2-(2,2-diphenylhydrazinyl)cyclopentyl]butylideneamino]-4-methylbenzenesulfonamide (PubChem CID 10743681) has the molecular formula C28H34N4O2S and a molecular weight of 490.67 g/mol. Its IUPAC name is N-[(E)-4-[(1S,2R)-2-(2,2-diphenylhydrazinyl)cyclopentyl]butylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-4-[(1S,2R)-2-(2,2-diphenylhydrazinyl)cyclopentyl]butylideneamino]-4-methylbenzenesulfonamide
PubChem CID10743681
Molecular FormulaC28H34N4O2S
Molecular Weight490.67 g/mol
Exact Mass490.24
IUPAC NameN-[(E)-4-[(1S,2R)-2-(2,2-diphenylhydrazinyl)cyclopentyl]butylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/CCC[C@@H]2CCC[C@H]2NN(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H34N4O2S/c1-23-18-20-27(21-19-23)35(33,34)31-29-22-9-8-11-24-12-10-17-28(24)30-32(25-13-4-2-5-14-25)26-15-6-3-7-16-26/h2-7,13-16,18-22,24,28,30-31H,8-12,17H2,1H3/b29-22+/t24-,28-/m1/s1
InChIKeyXIJSMVBNPRBASO-YHRVQHAOSA-N
XLogP5.94
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.67
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(1R,2R)-2-(N-methylanilino)cyclopentyl]benzenesulfonamide
CID 11405210
4-methyl-N',N'-diphenylbenzenesulfonohydrazide
CID 711063
N-(4-methylphenyl)sulfonyl-2-pent-4-enylcyclopentane-1-carboxamide
CID 177217614
N-[2-(bromomethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106367542
3-[(1R,2S)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]propanoic acid
CID 95654521
N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide
CID 1121471
4-methyl-N-[(1R,2R)-2-phenylsulfanylcyclopentyl]benzenesulfonamide
CID 11544772
N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
N-[(2-benzylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 175789104
4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
CID 162516902
N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
CID 87792352
4-methyl-N-[(E)-oxolan-3-ylmethylideneamino]benzenesulfonamide
CID 170633196

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-[(1S,2R)-2-(2,2-diphenylhydrazinyl)cyclopentyl]butylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-4-[(1S,2R)-2-(2,2-diphenylhydrazinyl)cyclopentyl]butylideneamino]-4-methylbenzenesulfonamide (CID 10743681) is N-[(E)-4-[(1S,2R)-2-(2,2-diphenylhydrazinyl)cyclopentyl]butylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-4-[(1S,2R)-2-(2,2-diphenylhydrazinyl)cyclopentyl]butylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-4-[(1S,2R)-2-(2,2-diphenylhydrazinyl)cyclopentyl]butylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/CCC[C@@H]2CCC[C@H]2NN(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-4-[(1S,2R)-2-(2,2-diphenylhydrazinyl)cyclopentyl]butylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is XIJSMVBNPRBASO-YHRVQHAOSA-N. The full InChI is InChI=1S/C28H34N4O2S/c1-23-18-20-27(21-19-23)35(33,34)31-29-22-9-8-11-24-12-10-17-28(24)30-32(25-13-4-2-5-14-25)26-15-6-3-7-16-26/h2-7,13-16,18-22,24,28,30-31H,8-12,17H2,1H3/b29-22+/t24-,28-/m1/s1.
What are the key properties of N-[(E)-4-[(1S,2R)-2-(2,2-diphenylhydrazinyl)cyclopentyl]butylideneamino]-4-methylbenzenesulfonamide?
N-[(E)-4-[(1S,2R)-2-(2,2-diphenylhydrazinyl)cyclopentyl]butylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 490.67 g/mol, XLogP of 5.94, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-[(1S,2R)-2-(2,2-diphenylhydrazinyl)cyclopentyl]butylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 10743681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).