N'-(3,4-dichlorophenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide

C15H11Cl2N3O3S2 — CID 2805215

IUPACN'-(3,4-dichlorophenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1sccc1-n1cccc1
InChIInChI=1S/C15H11Cl2N3O3S2/c16-11-4-3-10(9-12(11)17)25(22,23)19-18-15(21)14-13(5-8-24-14)20-6-1-2-7-20/h1-9,19H,(H,18,21)
InChIKeyZDBVBHPMFKHCOI-UHFFFAOYSA-N
MW416.31 g/mol
LogP3.47
Rot. Bonds5

About N'-(3,4-dichlorophenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide

N'-(3,4-dichlorophenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide (PubChem CID 2805215) has the molecular formula C15H11Cl2N3O3S2 and a molecular weight of 416.31 g/mol. Its IUPAC name is N'-(3,4-dichlorophenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3,4-dichlorophenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide
PubChem CID2805215
Molecular FormulaC15H11Cl2N3O3S2
Molecular Weight416.31 g/mol
Exact Mass414.96
IUPAC NameN'-(3,4-dichlorophenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1sccc1-n1cccc1
InChIInChI=1S/C15H11Cl2N3O3S2/c16-11-4-3-10(9-12(11)17)25(22,23)19-18-15(21)14-13(5-8-24-14)20-6-1-2-7-20/h1-9,19H,(H,18,21)
InChIKeyZDBVBHPMFKHCOI-UHFFFAOYSA-N
XLogP3.47
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide
CID 3779549
N'-(3,4-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 8616698
3-[(3,4-dichlorophenyl)sulfonylamino]thiophene-2-carboxamide
CID 2807688
N'-(3-chloro-4-fluorophenyl)sulfonyl-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
CID 2744075
tert-butyl N-[(3,4-dichlorophenyl)sulfonylamino]carbamate
CID 8500952
3-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)thiophene-2-carboxamide
CID 1481267
N-(3-carbamoylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 138999302
N-[4-(hydroxymethyl)phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 64792811
N'-(4-ethoxy-3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide
CID 24623987
N-[4-[[(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carbonyl)amino]sulfamoyl]phenyl]acetamide
CID 3792847
N-(2,2-difluoro-3-hydroxypropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 104857152
5-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43474607

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dichlorophenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide?
The IUPAC name of N'-(3,4-dichlorophenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide (CID 2805215) is N'-(3,4-dichlorophenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-(3,4-dichlorophenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide?
The canonical SMILES for N'-(3,4-dichlorophenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide is O=C(NNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1sccc1-n1cccc1.
What is the InChIKey of N'-(3,4-dichlorophenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide?
The InChIKey is ZDBVBHPMFKHCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O3S2/c16-11-4-3-10(9-12(11)17)25(22,23)19-18-15(21)14-13(5-8-24-14)20-6-1-2-7-20/h1-9,19H,(H,18,21).
What are the key properties of N'-(3,4-dichlorophenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide?
N'-(3,4-dichlorophenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide has a molecular weight of 416.31 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dichlorophenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide is sourced from PubChem (CID 2805215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).