4-chloro-N-[(Z)-3-methylbutan-2-ylideneamino]benzenesulfonamide

C11H15ClN2O2S — CID 6187295

IUPAC4-chloro-N-[(Z)-3-methylbutan-2-ylideneamino]benzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C11H15ClN2O2S/c1-8(2)9(3)13-14-17(15,16)11-6-4-10(12)5-7-11/h4-8,14H,1-3H3/b13-9-
InChIKeyNONRAQMABAHIBB-LCYFTJDESA-N
MW274.77 g/mol
LogP2.65
Rot. Bonds4

About 4-chloro-N-[(Z)-3-methylbutan-2-ylideneamino]benzenesulfonamide

4-chloro-N-[(Z)-3-methylbutan-2-ylideneamino]benzenesulfonamide (PubChem CID 6187295) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-3-methylbutan-2-ylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-3-methylbutan-2-ylideneamino]benzenesulfonamide
PubChem CID6187295
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name4-chloro-N-[(Z)-3-methylbutan-2-ylideneamino]benzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C11H15ClN2O2S/c1-8(2)9(3)13-14-17(15,16)11-6-4-10(12)5-7-11/h4-8,14H,1-3H3/b13-9-
InChIKeyNONRAQMABAHIBB-LCYFTJDESA-N
XLogP2.65
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.65
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-chloro-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135948718
N-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide
CID 139198570
4-chloro-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135679431
N-[(Z)-1-(3-bromophenyl)ethylideneamino]-4-chlorobenzenesulfonamide
CID 6153990
N-(4-chlorophenyl)sulfonylacetamide
CID 139084564
4-chloro-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide
CID 136668780
4-chloro-N-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
CID 5186427
4-chloro-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzenesulfonamide
CID 135426139
N-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide
CID 840428
4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide
CID 6287230
(3Z)-3-[(4-tert-butylphenyl)sulfonylhydrazinylidene]-N-(4-chlorophenyl)butanamide
CID 7241806
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-3-methylbutan-2-ylideneamino]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(Z)-3-methylbutan-2-ylideneamino]benzenesulfonamide (CID 6187295) is 4-chloro-N-[(Z)-3-methylbutan-2-ylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(Z)-3-methylbutan-2-ylideneamino]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(Z)-3-methylbutan-2-ylideneamino]benzenesulfonamide is C/C(=N/NS(=O)(=O)c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 4-chloro-N-[(Z)-3-methylbutan-2-ylideneamino]benzenesulfonamide?
The InChIKey is NONRAQMABAHIBB-LCYFTJDESA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-8(2)9(3)13-14-17(15,16)11-6-4-10(12)5-7-11/h4-8,14H,1-3H3/b13-9-.
What are the key properties of 4-chloro-N-[(Z)-3-methylbutan-2-ylideneamino]benzenesulfonamide?
4-chloro-N-[(Z)-3-methylbutan-2-ylideneamino]benzenesulfonamide has a molecular weight of 274.77 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-3-methylbutan-2-ylideneamino]benzenesulfonamide is sourced from PubChem (CID 6187295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).