N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide

C17H20N2O2S — CID 9073289

IUPACN-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1cc(C)ccc1C
InChIInChI=1S/C17H20N2O2S/c1-12-6-9-16(10-7-12)22(20,21)19-18-15(4)17-11-13(2)5-8-14(17)3/h5-11,19H,1-4H3/b18-15-
InChIKeyRVKXJUIJCQJOPN-SDXDJHTJSA-N
MW316.43 g/mol
LogP3.31
Rot. Bonds4

About N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide

N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide (PubChem CID 9073289) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide
PubChem CID9073289
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1cc(C)ccc1C
InChIInChI=1S/C17H20N2O2S/c1-12-6-9-16(10-7-12)22(20,21)19-18-15(4)17-11-13(2)5-8-14(17)3/h5-11,19H,1-4H3/b18-15-
InChIKeyRVKXJUIJCQJOPN-SDXDJHTJSA-N
XLogP3.31
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.31
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'}

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Related Compounds

4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
CID 141470988
4-bromo-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzenesulfonamide
CID 6009587
N-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 72792791
N-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 78093079
N-[(E)-1-(2-fluoro-5-iodophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 88570108
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
N-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide
CID 881463
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 6173114
N-[(Z)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 135592238
4-methyl-N-[(E)-1,1,1-trichloropropan-2-ylideneamino]benzenesulfonamide
CID 134897096
N-[(Z)-[(4E)-3-hydroxyimino-4-[(4-methylphenyl)sulfonylhydrazinylidene]pentan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 136734384
4-methyl-N-[(Z)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide
CID 102442285

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide (CID 9073289) is N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide is C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1cc(C)ccc1C.
What is the InChIKey of N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is RVKXJUIJCQJOPN-SDXDJHTJSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12-6-9-16(10-7-12)22(20,21)19-18-15(4)17-11-13(2)5-8-14(17)3/h5-11,19H,1-4H3/b18-15-.
What are the key properties of N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide?
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 316.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 9073289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).