4-bromo-N'-(2,4-difluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide

C12H10BrF2N3O3S — CID 17420156

IUPAC4-bromo-N'-(2,4-difluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide
SMILESCn1cc(Br)cc1C(=O)NNS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H10BrF2N3O3S/c1-18-6-7(13)4-10(18)12(19)16-17-22(20,21)11-3-2-8(14)5-9(11)15/h2-6,17H,1H3,(H,16,19)
InChIKeyLRBNLGTYVMZLAO-UHFFFAOYSA-N
MW394.20 g/mol
LogP1.69
Rot. Bonds4

About 4-bromo-N'-(2,4-difluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide

4-bromo-N'-(2,4-difluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide (PubChem CID 17420156) has the molecular formula C12H10BrF2N3O3S and a molecular weight of 394.20 g/mol. Its IUPAC name is 4-bromo-N'-(2,4-difluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(2,4-difluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide
PubChem CID17420156
Molecular FormulaC12H10BrF2N3O3S
Molecular Weight394.20 g/mol
Exact Mass392.96
IUPAC Name4-bromo-N'-(2,4-difluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide
SMILESCn1cc(Br)cc1C(=O)NNS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H10BrF2N3O3S/c1-18-6-7(13)4-10(18)12(19)16-17-22(20,21)11-3-2-8(14)5-9(11)15/h2-6,17H,1H3,(H,16,19)
InChIKeyLRBNLGTYVMZLAO-UHFFFAOYSA-N
XLogP1.69
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.20
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-methyl-N'-[2-(trifluoromethyl)phenyl]sulfonylpyrrole-2-carbohydrazide
CID 17487267
4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide
CID 27036737
methyl 3-[[(4-bromo-1-methylpyrrole-2-carbonyl)amino]sulfamoyl]thiophene-2-carboxylate
CID 35938631
methyl N-[(2,4-difluorophenyl)sulfonylamino]carbamate
CID 47104395
N'-(2,4-difluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504905
N'-(2-chloro-4-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide
CID 47022397
4-bromo-1-methyl-N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]pyrrole-2-carbohydrazide
CID 18125798
N'-(2,4-difluorophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 8523643
4-bromo-N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 43411067
4-bromo-N-(4-bromo-2,5-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 103842486
4-bromo-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-1-methylpyrrole-2-carbohydrazide
CID 27036807
2-(1-adamantyl)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide
CID 8616471

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(2,4-difluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-(2,4-difluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide (CID 17420156) is 4-bromo-N'-(2,4-difluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-(2,4-difluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-(2,4-difluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide is Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 4-bromo-N'-(2,4-difluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide?
The InChIKey is LRBNLGTYVMZLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2N3O3S/c1-18-6-7(13)4-10(18)12(19)16-17-22(20,21)11-3-2-8(14)5-9(11)15/h2-6,17H,1H3,(H,16,19).
What are the key properties of 4-bromo-N'-(2,4-difluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide?
4-bromo-N'-(2,4-difluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide has a molecular weight of 394.20 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(2,4-difluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 17420156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).