3-chloro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide

C17H18ClN3O4S — CID 9366029

IUPAC3-chloro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
SMILESCc1ccc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H18ClN3O4S/c1-11-6-8-13(9-7-11)17(23)20-19-16(22)12(2)21-26(24,25)15-5-3-4-14(18)10-15/h3-10,12,21H,1-2H3,(H,19,22)(H,20,23)/t12-/m0/s1
InChIKeyQXTBBHRHXAIWJJ-LBPRGKRZSA-N
MW395.87 g/mol
LogP1.78
Rot. Bonds5

About 3-chloro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide

3-chloro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide (PubChem CID 9366029) has the molecular formula C17H18ClN3O4S and a molecular weight of 395.87 g/mol. Its IUPAC name is 3-chloro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
PubChem CID9366029
Molecular FormulaC17H18ClN3O4S
Molecular Weight395.87 g/mol
Exact Mass395.07
IUPAC Name3-chloro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
SMILESCc1ccc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H18ClN3O4S/c1-11-6-8-13(9-7-11)17(23)20-19-16(22)12(2)21-26(24,25)15-5-3-4-14(18)10-15/h3-10,12,21H,1-2H3,(H,19,22)(H,20,23)/t12-/m0/s1
InChIKeyQXTBBHRHXAIWJJ-LBPRGKRZSA-N
XLogP1.78
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide 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

4-fluoro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 9366130
N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 55347203
4-chloro-N-[(2S)-1-[2-(4-methylsulfonylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 34963656
N-[(2S)-1-[2-[4-[(4-bromophenyl)sulfonylamino]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-4-methylbenzenesulfonamide
CID 98396439
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-[(1R)-2-methyl-1-phenylpropyl]propanamide
CID 51886343
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 9042158
N-(3-chlorophenyl)sulfonyl-2-methylpropanamide
CID 47269833
3-chloro-N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzenesulfonamide
CID 26003755
N'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 8616766
[(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate
CID 8844641
2-[2-(3-chlorophenyl)sulfonylhydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
CID 9239659
N,N-dimethyl-3-[[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]amino]carbamoyl]benzenesulfonamide
CID 24536143

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide (CID 9366029) is 3-chloro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide is Cc1ccc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide?
The InChIKey is QXTBBHRHXAIWJJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18ClN3O4S/c1-11-6-8-13(9-7-11)17(23)20-19-16(22)12(2)21-26(24,25)15-5-3-4-14(18)10-15/h3-10,12,21H,1-2H3,(H,19,22)(H,20,23)/t12-/m0/s1.
What are the key properties of 3-chloro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide?
3-chloro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide has a molecular weight of 395.87 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 9366029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).