1-(benzenesulfonyl)pyrrolidine-2-carbohydrazide

C11H15N3O3S — CID 555761

IUPAC1-(benzenesulfonyl)pyrrolidine-2-carbohydrazide
SMILESNNC(=O)C1CCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15N3O3S/c12-13-11(15)10-7-4-8-14(10)18(16,17)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2,(H,13,15)
InChIKeyYZVZYBIYGVEGFA-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.17
Rot. Bonds3

About 1-(benzenesulfonyl)pyrrolidine-2-carbohydrazide

1-(benzenesulfonyl)pyrrolidine-2-carbohydrazide (PubChem CID 555761) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-(benzenesulfonyl)pyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name1-(benzenesulfonyl)pyrrolidine-2-carbohydrazide
PubChem CID555761
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name1-(benzenesulfonyl)pyrrolidine-2-carbohydrazide
SMILESNNC(=O)C1CCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15N3O3S/c12-13-11(15)10-7-4-8-14(10)18(16,17)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2,(H,13,15)
InChIKeyYZVZYBIYGVEGFA-UHFFFAOYSA-N
XLogP-0.17
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(benzenesulfonyl)pyrrolidine-2-carbohydrazide 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

(2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 165121500
1-(benzenesulfonyl)-N-cyclopentylpiperidine-2-carboxamide
CID 51159553
2-[[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]-3-(hydrazinecarbonylamino)propanoic acid
CID 138611847
methyl 1-(benzenesulfonyl)pyrrolidine-2-carboxylate
CID 610805
(2S)-3-amino-2-[[(2S)-1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]propanoic acid
CID 131965367
(2R)-1-(benzenesulfonyl)-N'-(4-fluorophenyl)pyrrolidine-2-carbohydrazide
CID 51935537
(2R)-N-(4-benzamidocyclohexyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide
CID 24717448
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284
(2S)-1-(benzenesulfonyl)-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 992693
(2S)-1-(benzenesulfonyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 30837322
1-(benzenesulfonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119509273
1-(benzenesulfonyl)-N-prop-2-ynylpiperidine-2-carboxamide
CID 46418890

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)pyrrolidine-2-carbohydrazide?
The IUPAC name of 1-(benzenesulfonyl)pyrrolidine-2-carbohydrazide (CID 555761) is 1-(benzenesulfonyl)pyrrolidine-2-carbohydrazide.
What is the SMILES notation for 1-(benzenesulfonyl)pyrrolidine-2-carbohydrazide?
The canonical SMILES for 1-(benzenesulfonyl)pyrrolidine-2-carbohydrazide is NNC(=O)C1CCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)pyrrolidine-2-carbohydrazide?
The InChIKey is YZVZYBIYGVEGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c12-13-11(15)10-7-4-8-14(10)18(16,17)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2,(H,13,15).
What are the key properties of 1-(benzenesulfonyl)pyrrolidine-2-carbohydrazide?
1-(benzenesulfonyl)pyrrolidine-2-carbohydrazide has a molecular weight of 269.33 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)pyrrolidine-2-carbohydrazide is sourced from PubChem (CID 555761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).