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

C12H13ClN4O3S — CID 107622147

IUPACN-(4-chloro-3-methoxyphenyl)-3-hydrazinylpyridine-2-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ncccc2NN)ccc1Cl
InChIInChI=1S/C12H13ClN4O3S/c1-20-11-7-8(4-5-9(11)13)17-21(18,19)12-10(16-14)3-2-6-15-12/h2-7,16-17H,14H2,1H3
InChIKeyNPEPCKUUIWRMNI-UHFFFAOYSA-N
MW328.78 g/mol
LogP1.83
Rot. Bonds5

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

N-(4-chloro-3-methoxyphenyl)-3-hydrazinylpyridine-2-sulfonamide (PubChem CID 107622147) has the molecular formula C12H13ClN4O3S and a molecular weight of 328.78 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-3-hydrazinylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-3-hydrazinylpyridine-2-sulfonamide
PubChem CID107622147
Molecular FormulaC12H13ClN4O3S
Molecular Weight328.78 g/mol
Exact Mass328.04
IUPAC NameN-(4-chloro-3-methoxyphenyl)-3-hydrazinylpyridine-2-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ncccc2NN)ccc1Cl
InChIInChI=1S/C12H13ClN4O3S/c1-20-11-7-8(4-5-9(11)13)17-21(18,19)12-10(16-14)3-2-6-15-12/h2-7,16-17H,14H2,1H3
InChIKeyNPEPCKUUIWRMNI-UHFFFAOYSA-N
XLogP1.83
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-hydrazinylpyridine-2-sulfonamide
CID 103300777
3-hydrazinyl-N-(2,4,5-trichlorophenyl)pyridine-2-sulfonamide
CID 103300792
N-(3,5-dimethylphenyl)-3-hydrazinylpyridine-2-sulfonamide
CID 103300898
N-(2,6-dichloro-4-fluorophenyl)-3-hydrazinylpyridine-2-sulfonamide
CID 103301917
3-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-2-sulfonamide
CID 103300935
N-(5-chloro-2-fluorophenyl)-3-hydrazinylpyridine-2-sulfonamide
CID 103300976
N-(4-bromo-3-chlorophenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 107616509
N-(3-cyano-4-fluorophenyl)-3-hydrazinylpyridine-2-sulfonamide
CID 103301404
2-amino-6-chloro-N-(4-chloro-3-methoxyphenyl)benzenesulfonamide
CID 107620731
N-(5-chloro-2-methoxyphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103303356
N-(4-methoxyphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103303586
N-(3-chloro-4-methylphenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103303101

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-3-hydrazinylpyridine-2-sulfonamide?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-3-hydrazinylpyridine-2-sulfonamide (CID 107622147) is N-(4-chloro-3-methoxyphenyl)-3-hydrazinylpyridine-2-sulfonamide.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-3-hydrazinylpyridine-2-sulfonamide?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-3-hydrazinylpyridine-2-sulfonamide is COc1cc(NS(=O)(=O)c2ncccc2NN)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-3-hydrazinylpyridine-2-sulfonamide?
The InChIKey is NPEPCKUUIWRMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O3S/c1-20-11-7-8(4-5-9(11)13)17-21(18,19)12-10(16-14)3-2-6-15-12/h2-7,16-17H,14H2,1H3.
What are the key properties of N-(4-chloro-3-methoxyphenyl)-3-hydrazinylpyridine-2-sulfonamide?
N-(4-chloro-3-methoxyphenyl)-3-hydrazinylpyridine-2-sulfonamide has a molecular weight of 328.78 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)-3-hydrazinylpyridine-2-sulfonamide is sourced from PubChem (CID 107622147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).