4-chloro-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzenesulfonamide

C14H13ClN4O4S — CID 2523420

IUPAC4-chloro-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1cccnc1
InChIInChI=1S/C14H13ClN4O4S/c15-11-3-5-12(6-4-11)24(22,23)17-9-13(20)18-19-14(21)10-2-1-7-16-8-10/h1-8,17H,9H2,(H,18,20)(H,19,21)
InChIKeyHVWSZUPWMMQPBK-UHFFFAOYSA-N
MW368.80 g/mol
LogP0.47
Rot. Bonds5

About 4-chloro-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzenesulfonamide

4-chloro-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzenesulfonamide (PubChem CID 2523420) has the molecular formula C14H13ClN4O4S and a molecular weight of 368.80 g/mol. Its IUPAC name is 4-chloro-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzenesulfonamide
PubChem CID2523420
Molecular FormulaC14H13ClN4O4S
Molecular Weight368.80 g/mol
Exact Mass368.03
IUPAC Name4-chloro-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1cccnc1
InChIInChI=1S/C14H13ClN4O4S/c15-11-3-5-12(6-4-11)24(22,23)17-9-13(20)18-19-14(21)10-2-1-7-16-8-10/h1-8,17H,9H2,(H,18,20)(H,19,21)
InChIKeyHVWSZUPWMMQPBK-UHFFFAOYSA-N
XLogP0.47
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzenesulfonamide (CID 2523420) is 4-chloro-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzenesulfonamide is O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1cccnc1.
What is the InChIKey of 4-chloro-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzenesulfonamide?
The InChIKey is HVWSZUPWMMQPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O4S/c15-11-3-5-12(6-4-11)24(22,23)17-9-13(20)18-19-14(21)10-2-1-7-16-8-10/h1-8,17H,9H2,(H,18,20)(H,19,21).
What are the key properties of 4-chloro-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzenesulfonamide?
4-chloro-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzenesulfonamide has a molecular weight of 368.80 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 2523420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).