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

C12H10ClN5O2S — CID 61004459

IUPACN-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccnc(NN)c2)cc1Cl
InChIInChI=1S/C12H10ClN5O2S/c13-11-5-9(2-1-8(11)7-14)18-21(19,20)10-3-4-16-12(6-10)17-15/h1-6,18H,15H2,(H,16,17)
InChIKeyAGMFGFHCXRLTGJ-UHFFFAOYSA-N
MW323.77 g/mol
LogP1.69
Rot. Bonds4

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

N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-sulfonamide (PubChem CID 61004459) has the molecular formula C12H10ClN5O2S and a molecular weight of 323.77 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-sulfonamide
PubChem CID61004459
Molecular FormulaC12H10ClN5O2S
Molecular Weight323.77 g/mol
Exact Mass323.02
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccnc(NN)c2)cc1Cl
InChIInChI=1S/C12H10ClN5O2S/c13-11-5-9(2-1-8(11)7-14)18-21(19,20)10-3-4-16-12(6-10)17-15/h1-6,18H,15H2,(H,16,17)
InChIKeyAGMFGFHCXRLTGJ-UHFFFAOYSA-N
XLogP1.69
TPSA120.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.77
LogP ≤ 51.69
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-fluorophenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 61003566
3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 115588612
N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456936
6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide
CID 43236398
N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 62241163
N-(3,4-difluorophenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 61004703
N-(4-fluoro-3-methylphenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 62812201
N-(3-chloro-4-cyanophenyl)-1H-pyrazole-4-sulfonamide
CID 54937392
4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide
CID 106919707
N-(1-benzothiophen-5-yl)-2-hydrazinylpyridine-4-sulfonamide
CID 65451533
N-(2-chloro-4-iodophenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 107605710
2-hydrazinyl-N-(6-methoxy-3-pyridinyl)pyridine-4-sulfonamide
CID 61004702

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-sulfonamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-sulfonamide (CID 61004459) is N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-sulfonamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-sulfonamide is N#Cc1ccc(NS(=O)(=O)c2ccnc(NN)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-sulfonamide?
The InChIKey is AGMFGFHCXRLTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O2S/c13-11-5-9(2-1-8(11)7-14)18-21(19,20)10-3-4-16-12(6-10)17-15/h1-6,18H,15H2,(H,16,17).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-sulfonamide?
N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-sulfonamide has a molecular weight of 323.77 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-sulfonamide is sourced from PubChem (CID 61004459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).