N'-[2-(4-chlorophenyl)sulfonylacetyl]benzohydrazide

C15H13ClN2O4S — CID 51193950

IUPACN'-[2-(4-chlorophenyl)sulfonylacetyl]benzohydrazide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1ccccc1
InChIInChI=1S/C15H13ClN2O4S/c16-12-6-8-13(9-7-12)23(21,22)10-14(19)17-18-15(20)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19)(H,18,20)
InChIKeyJXLZMQNXHKIUDI-UHFFFAOYSA-N
MW352.80 g/mol
LogP1.57
Rot. Bonds4

About N'-[2-(4-chlorophenyl)sulfonylacetyl]benzohydrazide

N'-[2-(4-chlorophenyl)sulfonylacetyl]benzohydrazide (PubChem CID 51193950) has the molecular formula C15H13ClN2O4S and a molecular weight of 352.80 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)sulfonylacetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)sulfonylacetyl]benzohydrazide
PubChem CID51193950
Molecular FormulaC15H13ClN2O4S
Molecular Weight352.80 g/mol
Exact Mass352.03
IUPAC NameN'-[2-(4-chlorophenyl)sulfonylacetyl]benzohydrazide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1ccccc1
InChIInChI=1S/C15H13ClN2O4S/c16-12-6-8-13(9-7-12)23(21,22)10-14(19)17-18-15(20)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19)(H,18,20)
InChIKeyJXLZMQNXHKIUDI-UHFFFAOYSA-N
XLogP1.57
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide
CID 9414874
N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 2765509
N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 55347203
2-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)acetamide
CID 24655866
2-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]acetamide
CID 34381808
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (2R,3S)-2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 2430695
N-benzyl-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]benzamide
CID 24676607
2-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)acetamide
CID 4653730
N-benzyl-4-chloro-N-[[4-[(propanoylamino)carbamoyl]phenyl]methyl]benzenesulfonamide
CID 26861330
2-(4-chlorophenyl)sulfonyl-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 146673637
2-(4-chlorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)acetamide
CID 7544010
4-[2-(4-chlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 3516495

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)sulfonylacetyl]benzohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)sulfonylacetyl]benzohydrazide (CID 51193950) is N'-[2-(4-chlorophenyl)sulfonylacetyl]benzohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)sulfonylacetyl]benzohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)sulfonylacetyl]benzohydrazide is O=C(CS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)sulfonylacetyl]benzohydrazide?
The InChIKey is JXLZMQNXHKIUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4S/c16-12-6-8-13(9-7-12)23(21,22)10-14(19)17-18-15(20)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19)(H,18,20).
What are the key properties of N'-[2-(4-chlorophenyl)sulfonylacetyl]benzohydrazide?
N'-[2-(4-chlorophenyl)sulfonylacetyl]benzohydrazide has a molecular weight of 352.80 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)sulfonylacetyl]benzohydrazide is sourced from PubChem (CID 51193950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).