4-chloro-N-[3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]benzenesulfonamide

C14H14ClN3O4S2 — CID 9479099

IUPAC4-chloro-N-[3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1cccs1
InChIInChI=1S/C14H14ClN3O4S2/c15-10-3-5-11(6-4-10)24(21,22)16-8-7-13(19)17-18-14(20)12-2-1-9-23-12/h1-6,9,16H,7-8H2,(H,17,19)(H,18,20)
InChIKeyLHWZMISTWXZHNE-UHFFFAOYSA-N
MW387.87 g/mol
LogP1.53
Rot. Bonds6

About 4-chloro-N-[3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]benzenesulfonamide

4-chloro-N-[3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]benzenesulfonamide (PubChem CID 9479099) has the molecular formula C14H14ClN3O4S2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 4-chloro-N-[3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]benzenesulfonamide
PubChem CID9479099
Molecular FormulaC14H14ClN3O4S2
Molecular Weight387.87 g/mol
Exact Mass387.01
IUPAC Name4-chloro-N-[3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1cccs1
InChIInChI=1S/C14H14ClN3O4S2/c15-10-3-5-11(6-4-10)24(21,22)16-8-7-13(19)17-18-14(20)12-2-1-9-23-12/h1-6,9,16H,7-8H2,(H,17,19)(H,18,20)
InChIKeyLHWZMISTWXZHNE-UHFFFAOYSA-N
XLogP1.53
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 51.53
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-[3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]benzenesulfonamide (CID 9479099) is 4-chloro-N-[3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]benzenesulfonamide is O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1cccs1.
What is the InChIKey of 4-chloro-N-[3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]benzenesulfonamide?
The InChIKey is LHWZMISTWXZHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O4S2/c15-10-3-5-11(6-4-10)24(21,22)16-8-7-13(19)17-18-14(20)12-2-1-9-23-12/h1-6,9,16H,7-8H2,(H,17,19)(H,18,20).
What are the key properties of 4-chloro-N-[3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]benzenesulfonamide?
4-chloro-N-[3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]benzenesulfonamide has a molecular weight of 387.87 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]benzenesulfonamide is sourced from PubChem (CID 9479099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).