4-bromo-N'-naphthalen-2-ylsulfonyl-1H-pyrrole-2-carbohydrazide

C15H12BrN3O3S — CID 8823817

IUPAC4-bromo-N'-naphthalen-2-ylsulfonyl-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cc(Br)c[nH]1
InChIInChI=1S/C15H12BrN3O3S/c16-12-8-14(17-9-12)15(20)18-19-23(21,22)13-6-5-10-3-1-2-4-11(10)7-13/h1-9,17,19H,(H,18,20)
InChIKeyYOSSZMVMAIWION-UHFFFAOYSA-N
MW394.25 g/mol
LogP2.55
Rot. Bonds4

About 4-bromo-N'-naphthalen-2-ylsulfonyl-1H-pyrrole-2-carbohydrazide

4-bromo-N'-naphthalen-2-ylsulfonyl-1H-pyrrole-2-carbohydrazide (PubChem CID 8823817) has the molecular formula C15H12BrN3O3S and a molecular weight of 394.25 g/mol. Its IUPAC name is 4-bromo-N'-naphthalen-2-ylsulfonyl-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-naphthalen-2-ylsulfonyl-1H-pyrrole-2-carbohydrazide
PubChem CID8823817
Molecular FormulaC15H12BrN3O3S
Molecular Weight394.25 g/mol
Exact Mass392.98
IUPAC Name4-bromo-N'-naphthalen-2-ylsulfonyl-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cc(Br)c[nH]1
InChIInChI=1S/C15H12BrN3O3S/c16-12-8-14(17-9-12)15(20)18-19-23(21,22)13-6-5-10-3-1-2-4-11(10)7-13/h1-9,17,19H,(H,18,20)
InChIKeyYOSSZMVMAIWION-UHFFFAOYSA-N
XLogP2.55
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 52.55
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

4-bromo-N'-(2-naphthalen-2-ylacetyl)-1H-pyrrole-2-carbohydrazide
CID 9256579
4-hydroxy-N'-naphthalen-2-ylsulfonylbenzohydrazide
CID 2367622
2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide
CID 135298550
4-bromo-N'-(2,5-dimethoxyphenyl)sulfonyl-1H-pyrrole-2-carbohydrazide
CID 8823855
N'-naphthalen-2-ylsulfonylpyridine-3-carbohydrazide
CID 808034
N'-(benzenesulfonyl)naphthalene-2-carbohydrazide
CID 91444236
4-bromo-N'-(2-methoxy-5-methylphenyl)sulfonyl-1H-pyrrole-2-carbohydrazide
CID 8823856
4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 31421387
4-bromo-N'-(4-phenylmethoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 9256346
2-(4-ethylphenoxy)-N'-naphthalen-2-ylsulfonylacetohydrazide
CID 8614803
6-fluoro-2-methyl-N'-naphthalen-2-ylsulfonyl-3-phenylbenzohydrazide
CID 134581276
(2S)-2-amino-3-(1H-imidazol-5-yl)-N'-naphthalen-2-ylsulfonylpropanehydrazide
CID 44591545

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-naphthalen-2-ylsulfonyl-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-naphthalen-2-ylsulfonyl-1H-pyrrole-2-carbohydrazide (CID 8823817) is 4-bromo-N'-naphthalen-2-ylsulfonyl-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-naphthalen-2-ylsulfonyl-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-naphthalen-2-ylsulfonyl-1H-pyrrole-2-carbohydrazide is O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N'-naphthalen-2-ylsulfonyl-1H-pyrrole-2-carbohydrazide?
The InChIKey is YOSSZMVMAIWION-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O3S/c16-12-8-14(17-9-12)15(20)18-19-23(21,22)13-6-5-10-3-1-2-4-11(10)7-13/h1-9,17,19H,(H,18,20).
What are the key properties of 4-bromo-N'-naphthalen-2-ylsulfonyl-1H-pyrrole-2-carbohydrazide?
4-bromo-N'-naphthalen-2-ylsulfonyl-1H-pyrrole-2-carbohydrazide has a molecular weight of 394.25 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-naphthalen-2-ylsulfonyl-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 8823817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).