N-[(3-chlorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide

C12H13ClN4O2S — CID 62532935

IUPACN-[(3-chlorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide
SMILESNNc1ncccc1S(=O)(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C12H13ClN4O2S/c13-10-4-1-3-9(7-10)8-16-20(18,19)11-5-2-6-15-12(11)17-14/h1-7,16H,8,14H2,(H,15,17)
InChIKeyDJHWPWQVGOSRNW-UHFFFAOYSA-N
MW312.78 g/mol
LogP1.50
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide

N-[(3-chlorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide (PubChem CID 62532935) has the molecular formula C12H13ClN4O2S and a molecular weight of 312.78 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide
PubChem CID62532935
Molecular FormulaC12H13ClN4O2S
Molecular Weight312.78 g/mol
Exact Mass312.04
IUPAC NameN-[(3-chlorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide
SMILESNNc1ncccc1S(=O)(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C12H13ClN4O2S/c13-10-4-1-3-9(7-10)8-16-20(18,19)11-5-2-6-15-12(11)17-14/h1-7,16H,8,14H2,(H,15,17)
InChIKeyDJHWPWQVGOSRNW-UHFFFAOYSA-N
XLogP1.50
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 51.50
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

2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62146869
2-amino-5-chloro-N-[(3-chlorophenyl)methyl]benzenesulfonamide
CID 61108918
N-[(2-ethylphenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide
CID 64694908
N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide
CID 62164717
N-[(2-bromophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide
CID 61413878
2-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridine-3-sulfonamide
CID 106419554
N-[(3-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704963
2-N-[(3-chlorophenyl)methyl]pyridine-2,3-diamine
CID 62537408
N-(2-bromo-5-chlorophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 81279969
2-[(2-hydrazinyl-3-pyridinyl)sulfonylamino]acetamide
CID 43545765
N-(4-chlorophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456810
2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
CID 63303237

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide (CID 62532935) is N-[(3-chlorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide is NNc1ncccc1S(=O)(=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide?
The InChIKey is DJHWPWQVGOSRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2S/c13-10-4-1-3-9(7-10)8-16-20(18,19)11-5-2-6-15-12(11)17-14/h1-7,16H,8,14H2,(H,15,17).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide?
N-[(3-chlorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide has a molecular weight of 312.78 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 62532935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).