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

C11H11N3O2S — CID 135400568

IUPACN-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1ccc[nH]1)c1ccccc1
InChIInChI=1S/C11H11N3O2S/c15-17(16,11-6-2-1-3-7-11)14-13-9-10-5-4-8-12-10/h1-9,12,14H/b13-9+
InChIKeyDBUXOBLTXCLASI-UKTHLTGXSA-N
MW249.30 g/mol
LogP1.33
Rot. Bonds4

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

N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide (PubChem CID 135400568) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
PubChem CID135400568
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC NameN-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1ccc[nH]1)c1ccccc1
InChIInChI=1S/C11H11N3O2S/c15-17(16,11-6-2-1-3-7-11)14-13-9-10-5-4-8-12-10/h1-9,12,14H/b13-9+
InChIKeyDBUXOBLTXCLASI-UKTHLTGXSA-N
XLogP1.33
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.33
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

N-3-Pyridylbenzenesulfonamide
CID 339079
N-(pyridin-4-yl)benzenesulfonamide
CID 669138
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
1-Phenylsulfonylpyrrole
CID 140146
(E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-methylsulfonylprop-2-enenitrile
CID 5703330
4-[2-(2,2-Dicyanovinyl)pyrrolyl]benzenesulfonamide
CID 801718
1-[1-(benzenesulfonyl)-5-butylpyrrol-3-yl]-N-methylmethanamine
CID 66925027
2-Methyl-1-(4-methylphenyl)sulfonylpyrrole
CID 839845
N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 668955
4-(1H-Pyrrol-1-yl)benzenesulfonamide
CID 226310
4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 674996
Cambridge id 6132041
CID 775487

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide (CID 135400568) is N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide is O=S(=O)(N/N=C/c1ccc[nH]1)c1ccccc1.
What is the InChIKey of N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide?
The InChIKey is DBUXOBLTXCLASI-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H11N3O2S/c15-17(16,11-6-2-1-3-7-11)14-13-9-10-5-4-8-12-10/h1-9,12,14H/b13-9+.
What are the key properties of N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide?
N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide has a molecular weight of 249.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide is sourced from PubChem (CID 135400568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).