4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide

C11H10ClN3O2S — CID 135716267

IUPAC4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1ccc[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClN3O2S/c12-9-3-5-11(6-4-9)18(16,17)15-14-8-10-2-1-7-13-10/h1-8,13,15H/b14-8+
InChIKeyRWHGDDJHCCWZKQ-RIYZIHGNSA-N
MW283.74 g/mol
LogP1.98
Rot. Bonds4

About 4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide

4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide (PubChem CID 135716267) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is 4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
PubChem CID135716267
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1ccc[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClN3O2S/c12-9-3-5-11(6-4-9)18(16,17)15-14-8-10-2-1-7-13-10/h1-8,13,15H/b14-8+
InChIKeyRWHGDDJHCCWZKQ-RIYZIHGNSA-N
XLogP1.98
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 51.98
H-Bond Donors ≤ 52
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-nitro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
CID 136851968
4-methoxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
CID 135506648
4-ethoxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
CID 135614386
4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135521573
4-chloro-N-(thiophen-2-ylmethylideneamino)benzenesulfonamide
CID 874023
4-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 136661321
4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide
CID 5414863
4-chloro-N-[(3-fluorophenyl)methylideneamino]benzenesulfonamide
CID 874024
4-chloro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide
CID 4167006
4-chloro-N-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
CID 5186427
4-chloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 1349846
4-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]benzenesulfonamide
CID 3594304

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide (CID 135716267) is 4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide is O=S(=O)(N/N=C/c1ccc[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide?
The InChIKey is RWHGDDJHCCWZKQ-RIYZIHGNSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c12-9-3-5-11(6-4-9)18(16,17)15-14-8-10-2-1-7-13-10/h1-8,13,15H/b14-8+.
What are the key properties of 4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide?
4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide has a molecular weight of 283.74 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide is sourced from PubChem (CID 135716267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).