4-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]benzenesulfonamide

C14H13ClN2O2S2 — CID 3594304

IUPAC4-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]benzenesulfonamide
SMILESCSc1ccc(C=NNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN2O2S2/c1-20-13-6-2-11(3-7-13)10-16-17-21(18,19)14-8-4-12(15)5-9-14/h2-10,17H,1H3
InChIKeyFLOLOFTUQRXOLX-UHFFFAOYSA-N
MW340.86 g/mol
LogP3.37
Rot. Bonds5

About 4-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]benzenesulfonamide

4-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]benzenesulfonamide (PubChem CID 3594304) has the molecular formula C14H13ClN2O2S2 and a molecular weight of 340.86 g/mol. Its IUPAC name is 4-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]benzenesulfonamide
PubChem CID3594304
Molecular FormulaC14H13ClN2O2S2
Molecular Weight340.86 g/mol
Exact Mass340.01
IUPAC Name4-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]benzenesulfonamide
SMILESCSc1ccc(C=NNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN2O2S2/c1-20-13-6-2-11(3-7-13)10-16-17-21(18,19)14-8-4-12(15)5-9-14/h2-10,17H,1H3
InChIKeyFLOLOFTUQRXOLX-UHFFFAOYSA-N
XLogP3.37
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 53.37
H-Bond Donors ≤ 51
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

4-chloro-N-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
CID 5186427
4-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 136661321
methyl 4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]benzoate
CID 5009121
4-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 5431289
N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 2643147
N-[(E)-(4-chlorophenyl)methylideneamino]-4-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]benzenesulfonamide
CID 10502154
4-chloro-N-[(3-fluorophenyl)methylideneamino]benzenesulfonamide
CID 874024
4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide
CID 5414863
4-chloro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide
CID 4167006
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methylsulfanylphenyl)acetamide
CID 139082262
N-(1,3-benzodioxol-5-ylmethylideneamino)-4-chlorobenzenesulfonamide
CID 696656
[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 4232501

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]benzenesulfonamide (CID 3594304) is 4-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]benzenesulfonamide is CSc1ccc(C=NNS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is FLOLOFTUQRXOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S2/c1-20-13-6-2-11(3-7-13)10-16-17-21(18,19)14-8-4-12(15)5-9-14/h2-10,17H,1H3.
What are the key properties of 4-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]benzenesulfonamide?
4-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 340.86 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 3594304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).