4-bromo-N'-(2,5-dimethoxyphenyl)sulfonyl-1H-pyrrole-2-carbohydrazide

C13H14BrN3O5S — CID 8823855

IUPAC4-bromo-N'-(2,5-dimethoxyphenyl)sulfonyl-1H-pyrrole-2-carbohydrazide
SMILESCOc1ccc(OC)c(S(=O)(=O)NNC(=O)c2cc(Br)c[nH]2)c1
InChIInChI=1S/C13H14BrN3O5S/c1-21-9-3-4-11(22-2)12(6-9)23(19,20)17-16-13(18)10-5-8(14)7-15-10/h3-7,15,17H,1-2H3,(H,16,18)
InChIKeyYEZOOKLZUYJOSV-UHFFFAOYSA-N
MW404.24 g/mol
LogP1.42
Rot. Bonds6

About 4-bromo-N'-(2,5-dimethoxyphenyl)sulfonyl-1H-pyrrole-2-carbohydrazide

4-bromo-N'-(2,5-dimethoxyphenyl)sulfonyl-1H-pyrrole-2-carbohydrazide (PubChem CID 8823855) has the molecular formula C13H14BrN3O5S and a molecular weight of 404.24 g/mol. Its IUPAC name is 4-bromo-N'-(2,5-dimethoxyphenyl)sulfonyl-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(2,5-dimethoxyphenyl)sulfonyl-1H-pyrrole-2-carbohydrazide
PubChem CID8823855
Molecular FormulaC13H14BrN3O5S
Molecular Weight404.24 g/mol
Exact Mass402.98
IUPAC Name4-bromo-N'-(2,5-dimethoxyphenyl)sulfonyl-1H-pyrrole-2-carbohydrazide
SMILESCOc1ccc(OC)c(S(=O)(=O)NNC(=O)c2cc(Br)c[nH]2)c1
InChIInChI=1S/C13H14BrN3O5S/c1-21-9-3-4-11(22-2)12(6-9)23(19,20)17-16-13(18)10-5-8(14)7-15-10/h3-7,15,17H,1-2H3,(H,16,18)
InChIKeyYEZOOKLZUYJOSV-UHFFFAOYSA-N
XLogP1.42
TPSA109.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.24
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N'-(2-methoxy-5-methylphenyl)sulfonyl-1H-pyrrole-2-carbohydrazide
CID 8823856
4-bromo-N'-(2,4-dimethoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 17421548
methyl N-[(2,5-dimethoxyphenyl)sulfonylamino]carbamate
CID 8501055
N'-(2,5-dimethoxyphenyl)sulfonylacetohydrazide
CID 8500750
N'-(2,5-dimethoxyphenyl)sulfonyl-2-methylfuran-3-carbohydrazide
CID 8615856
N'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide
CID 26966791
4-bromo-N'-naphthalen-2-ylsulfonyl-1H-pyrrole-2-carbohydrazide
CID 8823817
N-cyclopropyl-2-[2-(2,5-dimethoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide
CID 8841327
3,5-dimethoxy-N'-(2-methoxy-5-methylphenyl)sulfonylbenzohydrazide
CID 8515948
N'-(2,5-dimethoxyphenyl)sulfonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 26952094
N'-(5-bromo-2-methoxyphenyl)sulfonylpropanehydrazide
CID 8505522
4-bromo-N'-[3-(difluoromethoxy)-4-methoxybenzoyl]-1H-pyrrole-2-carbohydrazide
CID 55738000

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(2,5-dimethoxyphenyl)sulfonyl-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-(2,5-dimethoxyphenyl)sulfonyl-1H-pyrrole-2-carbohydrazide (CID 8823855) is 4-bromo-N'-(2,5-dimethoxyphenyl)sulfonyl-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-(2,5-dimethoxyphenyl)sulfonyl-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-(2,5-dimethoxyphenyl)sulfonyl-1H-pyrrole-2-carbohydrazide is COc1ccc(OC)c(S(=O)(=O)NNC(=O)c2cc(Br)c[nH]2)c1.
What is the InChIKey of 4-bromo-N'-(2,5-dimethoxyphenyl)sulfonyl-1H-pyrrole-2-carbohydrazide?
The InChIKey is YEZOOKLZUYJOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O5S/c1-21-9-3-4-11(22-2)12(6-9)23(19,20)17-16-13(18)10-5-8(14)7-15-10/h3-7,15,17H,1-2H3,(H,16,18).
What are the key properties of 4-bromo-N'-(2,5-dimethoxyphenyl)sulfonyl-1H-pyrrole-2-carbohydrazide?
4-bromo-N'-(2,5-dimethoxyphenyl)sulfonyl-1H-pyrrole-2-carbohydrazide has a molecular weight of 404.24 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(2,5-dimethoxyphenyl)sulfonyl-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 8823855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).