N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide

C16H16ClN3O4S — CID 55347203

IUPACN-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C16H16ClN3O4S/c1-11(20-25(23,24)14-9-7-13(17)8-10-14)15(21)18-19-16(22)12-5-3-2-4-6-12/h2-11,20H,1H3,(H,18,21)(H,19,22)
InChIKeyCURPQMFERNGHPX-UHFFFAOYSA-N
MW381.84 g/mol
LogP1.47
Rot. Bonds5

About N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide

N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide (PubChem CID 55347203) has the molecular formula C16H16ClN3O4S and a molecular weight of 381.84 g/mol. Its IUPAC name is N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
PubChem CID55347203
Molecular FormulaC16H16ClN3O4S
Molecular Weight381.84 g/mol
Exact Mass381.06
IUPAC NameN-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C16H16ClN3O4S/c1-11(20-25(23,24)14-9-7-13(17)8-10-14)15(21)18-19-16(22)12-5-3-2-4-6-12/h2-11,20H,1H3,(H,18,21)(H,19,22)
InChIKeyCURPQMFERNGHPX-UHFFFAOYSA-N
XLogP1.47
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(2S)-1-[2-(4-methylsulfonylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 34963656
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302
3-chloro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 9366029
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (2R,3S)-2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 2430695
4-fluoro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 9366130
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
N'-[2-(4-chlorophenyl)sulfonylacetyl]benzohydrazide
CID 51193950
3-[2-[(4-chlorophenyl)sulfonylamino]propanoylamino]-2-methylpropanoic acid
CID 119237146
(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid
CID 51715390
N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 119383880
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]benzohydrazide
CID 7601517
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide (CID 55347203) is N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide is CC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide?
The InChIKey is CURPQMFERNGHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4S/c1-11(20-25(23,24)14-9-7-13(17)8-10-14)15(21)18-19-16(22)12-5-3-2-4-6-12/h2-11,20H,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide?
N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide has a molecular weight of 381.84 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 55347203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).