N-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide

C12H16N2O2S — CID 6390629

IUPACN-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(C)cc1)C1CC1
InChIInChI=1S/C12H16N2O2S/c1-9-3-7-12(8-4-9)17(15,16)14-13-10(2)11-5-6-11/h3-4,7-8,11,14H,5-6H2,1-2H3/b13-10-
InChIKeySEKAYYJYIWORJM-RAXLEYEMSA-N
MW252.34 g/mol
LogP2.06
Rot. Bonds4

About N-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide

N-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide (PubChem CID 6390629) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide
PubChem CID6390629
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(C)cc1)C1CC1
InChIInChI=1S/C12H16N2O2S/c1-9-3-7-12(8-4-9)17(15,16)14-13-10(2)11-5-6-11/h3-4,7-8,11,14H,5-6H2,1-2H3/b13-10-
InChIKeySEKAYYJYIWORJM-RAXLEYEMSA-N
XLogP2.06
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.06
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

N-[(E)-1-cyclopropylethylideneamino]benzenesulfonamide
CID 6012000
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
N-[1-(1-adamantyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 561246
N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 46179849
N-[(E)-1-cyclohexylethylideneamino]-4-methyl-3-nitrobenzenesulfonamide
CID 46803826
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073289
N-(2,2-dimethylpentan-3-ylideneamino)-4-methylbenzenesulfonamide
CID 165343830
4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
CID 141470988
N-[(Z)-1-(1,3-dithian-2-yl)propan-2-ylideneamino]-4-methylbenzenesulfonamide
CID 6050336
N-(4-methylphenyl)sulfonyl-2-oxoethanehydrazonoyl chloride
CID 57088982

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide (CID 6390629) is N-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide is C/C(=N/NS(=O)(=O)c1ccc(C)cc1)C1CC1.
What is the InChIKey of N-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is SEKAYYJYIWORJM-RAXLEYEMSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-9-3-7-12(8-4-9)17(15,16)14-13-10(2)11-5-6-11/h3-4,7-8,11,14H,5-6H2,1-2H3/b13-10-.
What are the key properties of N-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide?
N-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 252.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 6390629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).