N'-[1-(1H-pyrrol-2-yl)ethenyl]benzenesulfonohydrazide

C12H13N3O2S — CID 2692695

IUPACN'-[1-(1H-pyrrol-2-yl)ethenyl]benzenesulfonohydrazide
SMILESC=C(NNS(=O)(=O)c1ccccc1)c1ccc[nH]1
InChIInChI=1S/C12H13N3O2S/c1-10(12-8-5-9-13-12)14-15-18(16,17)11-6-3-2-4-7-11/h2-9,13-15H,1H2
InChIKeyLUDBSTKJPUTCEM-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.47
Rot. Bonds5

About N'-[1-(1H-pyrrol-2-yl)ethenyl]benzenesulfonohydrazide

N'-[1-(1H-pyrrol-2-yl)ethenyl]benzenesulfonohydrazide (PubChem CID 2692695) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N'-[1-(1H-pyrrol-2-yl)ethenyl]benzenesulfonohydrazide.

Molecular Properties

Compound NameN'-[1-(1H-pyrrol-2-yl)ethenyl]benzenesulfonohydrazide
PubChem CID2692695
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN'-[1-(1H-pyrrol-2-yl)ethenyl]benzenesulfonohydrazide
SMILESC=C(NNS(=O)(=O)c1ccccc1)c1ccc[nH]1
InChIInChI=1S/C12H13N3O2S/c1-10(12-8-5-9-13-12)14-15-18(16,17)11-6-3-2-4-7-11/h2-9,13-15H,1H2
InChIKeyLUDBSTKJPUTCEM-UHFFFAOYSA-N
XLogP1.47
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzenesulfonohydrazide
CID 2643082
N'-[1-(5-fluoro-2-hydroxyphenyl)ethenyl]benzenesulfonohydrazide
CID 2692711
sodium N'-(benzenesulfonyl)benzohydrazide
CID 54612136
2-(benzenesulfonyl)-1-(1H-pyrrol-2-yl)ethanone
CID 47111494
4-[(1H-pyrrole-2-carbonylamino)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8842471
N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]benzenesulfonohydrazide
CID 147257459
1-(benzenesulfonamido)-3-(2-methylprop-2-enyl)thiourea
CID 5223896
N'-(benzenesulfonyl)-4-(2-phenylethynyl)benzohydrazide
CID 10172619
1-(benzenesulfonamido)-3-propan-2-ylurea
CID 47173657
N'-aminobenzenesulfonohydrazide
CID 53420328
2-amino-N'-(benzenesulfonyl)-2-methylpropanehydrazide
CID 67519869
CID 88793655
CID 88793655

Frequently Asked Questions

What is the IUPAC name of N'-[1-(1H-pyrrol-2-yl)ethenyl]benzenesulfonohydrazide?
The IUPAC name of N'-[1-(1H-pyrrol-2-yl)ethenyl]benzenesulfonohydrazide (CID 2692695) is N'-[1-(1H-pyrrol-2-yl)ethenyl]benzenesulfonohydrazide.
What is the SMILES notation for N'-[1-(1H-pyrrol-2-yl)ethenyl]benzenesulfonohydrazide?
The canonical SMILES for N'-[1-(1H-pyrrol-2-yl)ethenyl]benzenesulfonohydrazide is C=C(NNS(=O)(=O)c1ccccc1)c1ccc[nH]1.
What is the InChIKey of N'-[1-(1H-pyrrol-2-yl)ethenyl]benzenesulfonohydrazide?
The InChIKey is LUDBSTKJPUTCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-10(12-8-5-9-13-12)14-15-18(16,17)11-6-3-2-4-7-11/h2-9,13-15H,1H2.
What are the key properties of N'-[1-(1H-pyrrol-2-yl)ethenyl]benzenesulfonohydrazide?
N'-[1-(1H-pyrrol-2-yl)ethenyl]benzenesulfonohydrazide has a molecular weight of 263.32 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1H-pyrrol-2-yl)ethenyl]benzenesulfonohydrazide is sourced from PubChem (CID 2692695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).