4-methyl-N'-(1-phenylpent-1-enyl)benzenesulfonohydrazide

C18H22N2O2S — CID 91167103

IUPAC4-methyl-N'-(1-phenylpent-1-enyl)benzenesulfonohydrazide
SMILESCCCC=C(NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O2S/c1-3-4-10-18(16-8-6-5-7-9-16)19-20-23(21,22)17-13-11-15(2)12-14-17/h5-14,19-20H,3-4H2,1-2H3
InChIKeyJUEYHRXKDYRASE-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.62
Rot. Bonds7

About 4-methyl-N'-(1-phenylpent-1-enyl)benzenesulfonohydrazide

4-methyl-N'-(1-phenylpent-1-enyl)benzenesulfonohydrazide (PubChem CID 91167103) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 4-methyl-N'-(1-phenylpent-1-enyl)benzenesulfonohydrazide.

Molecular Properties

Compound Name4-methyl-N'-(1-phenylpent-1-enyl)benzenesulfonohydrazide
PubChem CID91167103
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name4-methyl-N'-(1-phenylpent-1-enyl)benzenesulfonohydrazide
SMILESCCCC=C(NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O2S/c1-3-4-10-18(16-8-6-5-7-9-16)19-20-23(21,22)17-13-11-15(2)12-14-17/h5-14,19-20H,3-4H2,1-2H3
InChIKeyJUEYHRXKDYRASE-UHFFFAOYSA-N
XLogP3.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methylbenzenesulfonic acid 2-phenylhydrazide
CID 207054
4-methyl-N'-(4-methylphenyl)benzenesulfonohydrazide
CID 786403
2,4-dimethyl-N'-phenylbenzenesulfonohydrazide
CID 3118791
N-[(4-methylbenzene)sulfonamido]benzenecarboimidothioic acid
CID 44462214
4-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzenesulfonamide
CID 708035
oxo[(Z)-phenylmethanhydrazonoylideneamino]-p-tolyl-lambda-sulfaniumolate
CID 4146165
Benzenesulfonamide, 4-methyl-N-(1-methyl-1-phenylethyl)-
CID 3829601
4-methyl-N-(1-phenylethenyl)benzenesulfonamide
CID 11471299
(1r,2r)-N-(p-tosyl)-1,2-diphenylethylene-1,2-diamine
CID 87246771
4-methyl-N-[(Z)-1-phenylprop-1-enyl]benzenesulfonamide
CID 140118705
2-methyl-N'-phenyl-benzenesulfonohydrazide
CID 456819
N-(4-aminophenyl)-4-butyl-benzenesulfonamide
CID 458885

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(1-phenylpent-1-enyl)benzenesulfonohydrazide?
The IUPAC name of 4-methyl-N'-(1-phenylpent-1-enyl)benzenesulfonohydrazide (CID 91167103) is 4-methyl-N'-(1-phenylpent-1-enyl)benzenesulfonohydrazide.
What is the SMILES notation for 4-methyl-N'-(1-phenylpent-1-enyl)benzenesulfonohydrazide?
The canonical SMILES for 4-methyl-N'-(1-phenylpent-1-enyl)benzenesulfonohydrazide is CCCC=C(NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 4-methyl-N'-(1-phenylpent-1-enyl)benzenesulfonohydrazide?
The InChIKey is JUEYHRXKDYRASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-3-4-10-18(16-8-6-5-7-9-16)19-20-23(21,22)17-13-11-15(2)12-14-17/h5-14,19-20H,3-4H2,1-2H3.
What are the key properties of 4-methyl-N'-(1-phenylpent-1-enyl)benzenesulfonohydrazide?
4-methyl-N'-(1-phenylpent-1-enyl)benzenesulfonohydrazide has a molecular weight of 330.45 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(1-phenylpent-1-enyl)benzenesulfonohydrazide is sourced from PubChem (CID 91167103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).