2-(4-chlorophenyl)sulfonyl-N'-propylsulfonylacetohydrazide

C11H15ClN2O5S2 — CID 146673602

IUPAC2-(4-chlorophenyl)sulfonyl-N'-propylsulfonylacetohydrazide
SMILESCCCS(=O)(=O)NNC(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O5S2/c1-2-7-21(18,19)14-13-11(15)8-20(16,17)10-5-3-9(12)4-6-10/h3-6,14H,2,7-8H2,1H3,(H,13,15)
InChIKeyIOVPJYSHPIQLEJ-UHFFFAOYSA-N
MW354.84 g/mol
LogP0.47
Rot. Bonds7

About 2-(4-chlorophenyl)sulfonyl-N'-propylsulfonylacetohydrazide

2-(4-chlorophenyl)sulfonyl-N'-propylsulfonylacetohydrazide (PubChem CID 146673602) has the molecular formula C11H15ClN2O5S2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N'-propylsulfonylacetohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N'-propylsulfonylacetohydrazide
PubChem CID146673602
Molecular FormulaC11H15ClN2O5S2
Molecular Weight354.84 g/mol
Exact Mass354.01
IUPAC Name2-(4-chlorophenyl)sulfonyl-N'-propylsulfonylacetohydrazide
SMILESCCCS(=O)(=O)NNC(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O5S2/c1-2-7-21(18,19)14-13-11(15)8-20(16,17)10-5-3-9(12)4-6-10/h3-6,14H,2,7-8H2,1H3,(H,13,15)
InChIKeyIOVPJYSHPIQLEJ-UHFFFAOYSA-N
XLogP0.47
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)sulfonyl-N'-propylsulfonylacetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Propanamide, 3-[(4-chlorophenyl)sulfonyl]-
CID 541881
2-[(4-Chlorophenyl)sulfanyl]acetohydrazide
CID 734893
2-[(4-Chlorophenyl)sulfonyl]acetamide
CID 773998
2-[(4-chlorobenzene)sulfonyl]-N-hydroxyacetamide
CID 2819553
5-[(4-Chlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one
CID 46215255
2-(4-Chlorobenzene-1-sulfonyl)acetohydrazide
CID 2819384
2-(2-Chlorophenylthio)acetohydrazide
CID 43091098
5-[(4-Chlorophenyl)sulfinylmethyl]-1,2-dihydropyrazol-3-one
CID 46215250
4-chloro-N-methyl-N-[2-(2-methylsulfonylhydrazinyl)-2-oxoethyl]benzenesulfonamide
CID 2363818
4-chloro-N'-(3-methoxypropanoyl)benzenesulfonohydrazide
CID 1728424
2-[2-(benzenesulfonyl)ethylsulfanyl]-N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide
CID 2819949
N'-[4-(4-chlorophenyl)sulfonyl-3-methylthiophen-2-yl]sulfonylacetohydrazide
CID 2820374

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N'-propylsulfonylacetohydrazide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N'-propylsulfonylacetohydrazide (CID 146673602) is 2-(4-chlorophenyl)sulfonyl-N'-propylsulfonylacetohydrazide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N'-propylsulfonylacetohydrazide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N'-propylsulfonylacetohydrazide is CCCS(=O)(=O)NNC(=O)CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N'-propylsulfonylacetohydrazide?
The InChIKey is IOVPJYSHPIQLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O5S2/c1-2-7-21(18,19)14-13-11(15)8-20(16,17)10-5-3-9(12)4-6-10/h3-6,14H,2,7-8H2,1H3,(H,13,15).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N'-propylsulfonylacetohydrazide?
2-(4-chlorophenyl)sulfonyl-N'-propylsulfonylacetohydrazide has a molecular weight of 354.84 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N'-propylsulfonylacetohydrazide is sourced from PubChem (CID 146673602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).