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

C12H13ClN4O2S — CID 103300777

IUPACN-(3-chloro-4-methylphenyl)-3-hydrazinylpyridine-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ncccc2NN)cc1Cl
InChIInChI=1S/C12H13ClN4O2S/c1-8-4-5-9(7-10(8)13)17-20(18,19)12-11(16-14)3-2-6-15-12/h2-7,16-17H,14H2,1H3
InChIKeyMGEULQDVDNYWDL-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.13
Rot. Bonds4

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

N-(3-chloro-4-methylphenyl)-3-hydrazinylpyridine-2-sulfonamide (PubChem CID 103300777) has the molecular formula C12H13ClN4O2S and a molecular weight of 312.78 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-hydrazinylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-hydrazinylpyridine-2-sulfonamide
PubChem CID103300777
Molecular FormulaC12H13ClN4O2S
Molecular Weight312.78 g/mol
Exact Mass312.04
IUPAC NameN-(3-chloro-4-methylphenyl)-3-hydrazinylpyridine-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ncccc2NN)cc1Cl
InChIInChI=1S/C12H13ClN4O2S/c1-8-4-5-9(7-10(8)13)17-20(18,19)12-11(16-14)3-2-6-15-12/h2-7,16-17H,14H2,1H3
InChIKeyMGEULQDVDNYWDL-UHFFFAOYSA-N
XLogP2.13
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.13
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-(3-chloro-4-methylphenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103303101
3-amino-N-(3-chloro-4-methylphenyl)pyridine-2-sulfonamide
CID 103303099
N-(4-chloro-3-methoxyphenyl)-3-hydrazinylpyridine-2-sulfonamide
CID 107622147
N-(3,5-dimethylphenyl)-3-hydrazinylpyridine-2-sulfonamide
CID 103300898
3-hydrazinyl-N-(2,4,5-trichlorophenyl)pyridine-2-sulfonamide
CID 103300792
3-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-2-sulfonamide
CID 103300935
N-(2,6-dichloro-4-fluorophenyl)-3-hydrazinylpyridine-2-sulfonamide
CID 103301917
N-(4-bromo-3-chlorophenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 107616509
N-(4-fluoro-2-methylphenyl)-3-hydrazinylpyridine-2-sulfonamide
CID 103300908
N-(3-fluoro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304040
N-(3,4-dichlorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299127
N-(5-chloro-2-fluorophenyl)-3-hydrazinylpyridine-2-sulfonamide
CID 103300976

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-hydrazinylpyridine-2-sulfonamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-hydrazinylpyridine-2-sulfonamide (CID 103300777) is N-(3-chloro-4-methylphenyl)-3-hydrazinylpyridine-2-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-hydrazinylpyridine-2-sulfonamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-hydrazinylpyridine-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2ncccc2NN)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-hydrazinylpyridine-2-sulfonamide?
The InChIKey is MGEULQDVDNYWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2S/c1-8-4-5-9(7-10(8)13)17-20(18,19)12-11(16-14)3-2-6-15-12/h2-7,16-17H,14H2,1H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-3-hydrazinylpyridine-2-sulfonamide?
N-(3-chloro-4-methylphenyl)-3-hydrazinylpyridine-2-sulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-hydrazinylpyridine-2-sulfonamide is sourced from PubChem (CID 103300777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).