4-chloro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide

C11H9ClN2O2S2 — CID 4167006

IUPAC4-chloro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide
SMILESO=S(=O)(NN=Cc1ccsc1)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2O2S2/c12-10-1-3-11(4-2-10)18(15,16)14-13-7-9-5-6-17-8-9/h1-8,14H
InChIKeyBROJJTDSVLFDDU-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.71
Rot. Bonds4

About 4-chloro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide

4-chloro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide (PubChem CID 4167006) has the molecular formula C11H9ClN2O2S2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 4-chloro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide
PubChem CID4167006
Molecular FormulaC11H9ClN2O2S2
Molecular Weight300.79 g/mol
Exact Mass299.98
IUPAC Name4-chloro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide
SMILESO=S(=O)(NN=Cc1ccsc1)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2O2S2/c12-10-1-3-11(4-2-10)18(15,16)14-13-7-9-5-6-17-8-9/h1-8,14H
InChIKeyBROJJTDSVLFDDU-UHFFFAOYSA-N
XLogP2.71
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.71
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-nitro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide
CID 842353
4-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 136661321
4-chloro-N-(thiophen-2-ylmethylideneamino)benzenesulfonamide
CID 874023
4-chloro-N-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
CID 5186427
4-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]benzenesulfonamide
CID 3594304
4-chloro-N-[(3-fluorophenyl)methylideneamino]benzenesulfonamide
CID 874024
4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide
CID 5414863
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-(1,3-benzodioxol-5-ylmethylideneamino)-4-chlorobenzenesulfonamide
CID 696656
4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
CID 135716267

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide (CID 4167006) is 4-chloro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide is O=S(=O)(NN=Cc1ccsc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide?
The InChIKey is BROJJTDSVLFDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S2/c12-10-1-3-11(4-2-10)18(15,16)14-13-7-9-5-6-17-8-9/h1-8,14H.
What are the key properties of 4-chloro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide?
4-chloro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide has a molecular weight of 300.79 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide is sourced from PubChem (CID 4167006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).