N-(2-bromo-5-chloro-4-methylphenyl)-2-hydrazinylpyridine-3-sulfonamide

C12H12BrClN4O2S — CID 104724505

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-2-hydrazinylpyridine-3-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2cccnc2NN)cc1Cl
InChIInChI=1S/C12H12BrClN4O2S/c1-7-5-8(13)10(6-9(7)14)18-21(19,20)11-3-2-4-16-12(11)17-15/h2-6,18H,15H2,1H3,(H,16,17)
InChIKeyWWXPCWHGKNZXPA-UHFFFAOYSA-N
MW391.68 g/mol
LogP2.89
Rot. Bonds4

About N-(2-bromo-5-chloro-4-methylphenyl)-2-hydrazinylpyridine-3-sulfonamide

N-(2-bromo-5-chloro-4-methylphenyl)-2-hydrazinylpyridine-3-sulfonamide (PubChem CID 104724505) has the molecular formula C12H12BrClN4O2S and a molecular weight of 391.68 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-2-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-2-hydrazinylpyridine-3-sulfonamide
PubChem CID104724505
Molecular FormulaC12H12BrClN4O2S
Molecular Weight391.68 g/mol
Exact Mass389.96
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-2-hydrazinylpyridine-3-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2cccnc2NN)cc1Cl
InChIInChI=1S/C12H12BrClN4O2S/c1-7-5-8(13)10(6-9(7)14)18-21(19,20)11-3-2-4-16-12(11)17-15/h2-6,18H,15H2,1H3,(H,16,17)
InChIKeyWWXPCWHGKNZXPA-UHFFFAOYSA-N
XLogP2.89
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.68
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-5-chlorophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 81279969
N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103300420
2-hydrazinyl-N-(4-methyl-3-pyridinyl)pyridine-3-sulfonamide
CID 63327419
N-(3,4-dimethylphenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456741
N-(3-bromophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456824
N-(5-bromo-6-methyl-2-pyridinyl)-2-hydrazinylpyridine-3-sulfonamide
CID 79048219
N-(4-chloro-2-iodophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 107626569
2-hydrazinyl-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
CID 43383641
N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 113443382
N-(2-bromo-5-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 81274698
2-amino-5-bromo-N-(2-bromo-5-chloro-4-methylphenyl)pyridine-3-sulfonamide
CID 104725117
N-(4-chlorophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456810

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-2-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-2-hydrazinylpyridine-3-sulfonamide (CID 104724505) is N-(2-bromo-5-chloro-4-methylphenyl)-2-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-2-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-2-hydrazinylpyridine-3-sulfonamide is Cc1cc(Br)c(NS(=O)(=O)c2cccnc2NN)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-2-hydrazinylpyridine-3-sulfonamide?
The InChIKey is WWXPCWHGKNZXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN4O2S/c1-7-5-8(13)10(6-9(7)14)18-21(19,20)11-3-2-4-16-12(11)17-15/h2-6,18H,15H2,1H3,(H,16,17).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-2-hydrazinylpyridine-3-sulfonamide?
N-(2-bromo-5-chloro-4-methylphenyl)-2-hydrazinylpyridine-3-sulfonamide has a molecular weight of 391.68 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-2-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 104724505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).