N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1H-pyrrole-2-carbohydrazide

C13H12ClN3O3S — CID 8842478

IUPACN'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)/C=C/c1ccc(Cl)cc1)c1ccc[nH]1
InChIInChI=1S/C13H12ClN3O3S/c14-11-5-3-10(4-6-11)7-9-21(19,20)17-16-13(18)12-2-1-8-15-12/h1-9,15,17H,(H,16,18)/b9-7+
InChIKeyDDUVUXHWTZMZTH-VQHVLOKHSA-N
MW325.78 g/mol
LogP1.90
Rot. Bonds5

About N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1H-pyrrole-2-carbohydrazide

N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1H-pyrrole-2-carbohydrazide (PubChem CID 8842478) has the molecular formula C13H12ClN3O3S and a molecular weight of 325.78 g/mol. Its IUPAC name is N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1H-pyrrole-2-carbohydrazide
PubChem CID8842478
Molecular FormulaC13H12ClN3O3S
Molecular Weight325.78 g/mol
Exact Mass325.03
IUPAC NameN'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)/C=C/c1ccc(Cl)cc1)c1ccc[nH]1
InChIInChI=1S/C13H12ClN3O3S/c14-11-5-3-10(4-6-11)7-9-21(19,20)17-16-13(18)12-2-1-8-15-12/h1-9,15,17H,(H,16,18)/b9-7+
InChIKeyDDUVUXHWTZMZTH-VQHVLOKHSA-N
XLogP1.90
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 51.90
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'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylacetohydrazide
CID 8500743
N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-methylindole-3-carbohydrazide
CID 27658436
N'-(2,5-difluorophenyl)sulfonyl-1H-pyrrole-2-carbohydrazide
CID 8842495
N'-[(E)-2-phenylethenyl]sulfonyl-1H-indole-3-carbohydrazide
CID 26980112
N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetohydrazide
CID 8860912
3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid
CID 43237715
2-[2-(4-chlorophenyl)ethenylsulfonylamino]-N-cyclopropylbenzamide
CID 71835079
1-methyl-N'-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpyrrole-2-carbohydrazide
CID 94619291
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide
CID 9302302
(E)-2-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)ethenesulfonamide
CID 43501666
(2S)-3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104935897
4-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]benzamide
CID 6213409

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1H-pyrrole-2-carbohydrazide (CID 8842478) is N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1H-pyrrole-2-carbohydrazide is O=C(NNS(=O)(=O)/C=C/c1ccc(Cl)cc1)c1ccc[nH]1.
What is the InChIKey of N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1H-pyrrole-2-carbohydrazide?
The InChIKey is DDUVUXHWTZMZTH-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H12ClN3O3S/c14-11-5-3-10(4-6-11)7-9-21(19,20)17-16-13(18)12-2-1-8-15-12/h1-9,15,17H,(H,16,18)/b9-7+.
What are the key properties of N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1H-pyrrole-2-carbohydrazide?
N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1H-pyrrole-2-carbohydrazide has a molecular weight of 325.78 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 8842478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).