4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]-N-methylbenzenesulfonamide

C15H15Cl2N3O2S — CID 9058961

IUPAC4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(/C(C)=N\Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H15Cl2N3O2S/c1-10(19-20-12-5-8-14(16)15(17)9-12)11-3-6-13(7-4-11)23(21,22)18-2/h3-9,18,20H,1-2H3/b19-10-
InChIKeyHKWYBGBXWQFOHI-GRSHGNNSSA-N
MW372.28 g/mol
LogP3.74
Rot. Bonds5

About 4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]-N-methylbenzenesulfonamide

4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]-N-methylbenzenesulfonamide (PubChem CID 9058961) has the molecular formula C15H15Cl2N3O2S and a molecular weight of 372.28 g/mol. Its IUPAC name is 4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]-N-methylbenzenesulfonamide
PubChem CID9058961
Molecular FormulaC15H15Cl2N3O2S
Molecular Weight372.28 g/mol
Exact Mass371.03
IUPAC Name4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(/C(C)=N\Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H15Cl2N3O2S/c1-10(19-20-12-5-8-14(16)15(17)9-12)11-3-6-13(7-4-11)23(21,22)18-2/h3-9,18,20H,1-2H3/b19-10-
InChIKeyHKWYBGBXWQFOHI-GRSHGNNSSA-N
XLogP3.74
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-[(2Z)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-chlorobenzoate
CID 7416836
3-chloro-4-methyl-N-[(Z)-1-(4-piperazin-1-ylsulfonylphenyl)ethylideneamino]aniline
CID 9069268
4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 121473240
(E)-3-(3,4-dichlorophenyl)-N-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 9219752
N-methyl-4-[C-methyl-N-[[6-[2-[1-[4-(methylsulfamoyl)phenyl]ethylidene]hydrazinyl]-2-(2,4,5-trifluoroanilino)pyrimidin-4-yl]amino]carbonimidoyl]benzenesulfonamide
CID 139976970
4-[2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]benzenesulfonate
CID 3424835
3,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]aniline
CID 91183805
2-chloro-5-[2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]benzoic acid
CID 4300959
4-methylsulfonyl-N-[(E)-1-pyridin-4-ylethylideneamino]aniline
CID 97311336
2-N-(3-chloro-4-fluorophenyl)-4-N,6-N-bis[1-(4-methylsulfonylphenyl)ethylideneamino]pyrimidine-2,4,6-triamine
CID 139976869
N-[4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 9058995
4-[(2E)-2-[1-(3,4-dichlorophenyl)propylidene]hydrazinyl]benzenesulfonamide
CID 55355098

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]-N-methylbenzenesulfonamide (CID 9058961) is 4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(/C(C)=N\Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]-N-methylbenzenesulfonamide?
The InChIKey is HKWYBGBXWQFOHI-GRSHGNNSSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2S/c1-10(19-20-12-5-8-14(16)15(17)9-12)11-3-6-13(7-4-11)23(21,22)18-2/h3-9,18,20H,1-2H3/b19-10-.
What are the key properties of 4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]-N-methylbenzenesulfonamide?
4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]-N-methylbenzenesulfonamide has a molecular weight of 372.28 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 9058961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).