N'-(5-bromo-2-methylphenyl)sulfonylpyridine-2-carbohydrazide

C13H12BrN3O3S — CID 8511867

IUPACN'-(5-bromo-2-methylphenyl)sulfonylpyridine-2-carbohydrazide
SMILESCc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1ccccn1
InChIInChI=1S/C13H12BrN3O3S/c1-9-5-6-10(14)8-12(9)21(19,20)17-16-13(18)11-4-2-3-7-15-11/h2-8,17H,1H3,(H,16,18)
InChIKeyGNBHLAYSVJVRCX-UHFFFAOYSA-N
MW370.23 g/mol
LogP1.78
Rot. Bonds4

About N'-(5-bromo-2-methylphenyl)sulfonylpyridine-2-carbohydrazide

N'-(5-bromo-2-methylphenyl)sulfonylpyridine-2-carbohydrazide (PubChem CID 8511867) has the molecular formula C13H12BrN3O3S and a molecular weight of 370.23 g/mol. Its IUPAC name is N'-(5-bromo-2-methylphenyl)sulfonylpyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-bromo-2-methylphenyl)sulfonylpyridine-2-carbohydrazide
PubChem CID8511867
Molecular FormulaC13H12BrN3O3S
Molecular Weight370.23 g/mol
Exact Mass368.98
IUPAC NameN'-(5-bromo-2-methylphenyl)sulfonylpyridine-2-carbohydrazide
SMILESCc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1ccccn1
InChIInChI=1S/C13H12BrN3O3S/c1-9-5-6-10(14)8-12(9)21(19,20)17-16-13(18)11-4-2-3-7-15-11/h2-8,17H,1H3,(H,16,18)
InChIKeyGNBHLAYSVJVRCX-UHFFFAOYSA-N
XLogP1.78
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 51.78
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

N'-(4-methylphenyl)sulfonylpyridine-2-carbohydrazide
CID 26951444
4-bromo-N'-(2,5-dimethylphenyl)sulfonylbenzohydrazide
CID 26951527
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 17410002
N'-(5-bromo-2-methylphenyl)sulfonyl-3-methylbutanehydrazide
CID 8518022
N'-(2-bromo-6-chloro-4-fluorophenyl)sulfonylpyridine-2-carbohydrazide
CID 75396737
N'-(5-bromo-2-fluorobenzoyl)pyridine-2-carbohydrazide
CID 9331928
2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 24502280
N'-(4-nitrophenyl)sulfonylpyridine-2-carbohydrazide
CID 17368436
N'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide
CID 26966791
N'-[1-(4-bromophenyl)ethenyl]pyridine-2-carbohydrazide
CID 3448394
N'-(3-bromophenyl)sulfonylpyrazine-2-carbohydrazide
CID 18207978
N-[4-bromo-2-[[(E)-(3,4-dimethylphenyl)methylideneamino]carbamoyl]phenyl]pyridine-2-carboxamide
CID 58712842

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-methylphenyl)sulfonylpyridine-2-carbohydrazide?
The IUPAC name of N'-(5-bromo-2-methylphenyl)sulfonylpyridine-2-carbohydrazide (CID 8511867) is N'-(5-bromo-2-methylphenyl)sulfonylpyridine-2-carbohydrazide.
What is the SMILES notation for N'-(5-bromo-2-methylphenyl)sulfonylpyridine-2-carbohydrazide?
The canonical SMILES for N'-(5-bromo-2-methylphenyl)sulfonylpyridine-2-carbohydrazide is Cc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1ccccn1.
What is the InChIKey of N'-(5-bromo-2-methylphenyl)sulfonylpyridine-2-carbohydrazide?
The InChIKey is GNBHLAYSVJVRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O3S/c1-9-5-6-10(14)8-12(9)21(19,20)17-16-13(18)11-4-2-3-7-15-11/h2-8,17H,1H3,(H,16,18).
What are the key properties of N'-(5-bromo-2-methylphenyl)sulfonylpyridine-2-carbohydrazide?
N'-(5-bromo-2-methylphenyl)sulfonylpyridine-2-carbohydrazide has a molecular weight of 370.23 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-methylphenyl)sulfonylpyridine-2-carbohydrazide is sourced from PubChem (CID 8511867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).