(2R)-1-(benzenesulfonyl)-N'-(4-fluorophenyl)pyrrolidine-2-carbohydrazide

C17H18FN3O3S — CID 51935537

IUPAC(2R)-1-(benzenesulfonyl)-N'-(4-fluorophenyl)pyrrolidine-2-carbohydrazide
SMILESO=C(NNc1ccc(F)cc1)[C@H]1CCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18FN3O3S/c18-13-8-10-14(11-9-13)19-20-17(22)16-7-4-12-21(16)25(23,24)15-5-2-1-3-6-15/h1-3,5-6,8-11,16,19H,4,7,12H2,(H,20,22)/t16-/m1/s1
InChIKeyAFLMUMSZKYKNDK-MRXNPFEDSA-N
MW363.41 g/mol
LogP2.12
Rot. Bonds5

About (2R)-1-(benzenesulfonyl)-N'-(4-fluorophenyl)pyrrolidine-2-carbohydrazide

(2R)-1-(benzenesulfonyl)-N'-(4-fluorophenyl)pyrrolidine-2-carbohydrazide (PubChem CID 51935537) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is (2R)-1-(benzenesulfonyl)-N'-(4-fluorophenyl)pyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name(2R)-1-(benzenesulfonyl)-N'-(4-fluorophenyl)pyrrolidine-2-carbohydrazide
PubChem CID51935537
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC Name(2R)-1-(benzenesulfonyl)-N'-(4-fluorophenyl)pyrrolidine-2-carbohydrazide
SMILESO=C(NNc1ccc(F)cc1)[C@H]1CCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18FN3O3S/c18-13-8-10-14(11-9-13)19-20-17(22)16-7-4-12-21(16)25(23,24)15-5-2-1-3-6-15/h1-3,5-6,8-11,16,19H,4,7,12H2,(H,20,22)/t16-/m1/s1
InChIKeyAFLMUMSZKYKNDK-MRXNPFEDSA-N
XLogP2.12
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.12
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

(2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-nitrophenyl)pyrrolidine-2-carbohydrazide
CID 26720866
(2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-phenylacetyl)piperidine-2-carbohydrazide
CID 57118359
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865516
1-(benzenesulfonyl)pyrrolidine-2-carbohydrazide
CID 555761
(2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 1487032
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 4034649
1-(4-fluorophenyl)sulfonyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 18150496
(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 40830483
(2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 165121500
(2S)-N-(2-benzylsulfanylethyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 9490325
1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide
CID 78866856
(2S)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 92887637

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(benzenesulfonyl)-N'-(4-fluorophenyl)pyrrolidine-2-carbohydrazide?
The IUPAC name of (2R)-1-(benzenesulfonyl)-N'-(4-fluorophenyl)pyrrolidine-2-carbohydrazide (CID 51935537) is (2R)-1-(benzenesulfonyl)-N'-(4-fluorophenyl)pyrrolidine-2-carbohydrazide.
What is the SMILES notation for (2R)-1-(benzenesulfonyl)-N'-(4-fluorophenyl)pyrrolidine-2-carbohydrazide?
The canonical SMILES for (2R)-1-(benzenesulfonyl)-N'-(4-fluorophenyl)pyrrolidine-2-carbohydrazide is O=C(NNc1ccc(F)cc1)[C@H]1CCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2R)-1-(benzenesulfonyl)-N'-(4-fluorophenyl)pyrrolidine-2-carbohydrazide?
The InChIKey is AFLMUMSZKYKNDK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c18-13-8-10-14(11-9-13)19-20-17(22)16-7-4-12-21(16)25(23,24)15-5-2-1-3-6-15/h1-3,5-6,8-11,16,19H,4,7,12H2,(H,20,22)/t16-/m1/s1.
What are the key properties of (2R)-1-(benzenesulfonyl)-N'-(4-fluorophenyl)pyrrolidine-2-carbohydrazide?
(2R)-1-(benzenesulfonyl)-N'-(4-fluorophenyl)pyrrolidine-2-carbohydrazide has a molecular weight of 363.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzenesulfonyl)-N'-(4-fluorophenyl)pyrrolidine-2-carbohydrazide is sourced from PubChem (CID 51935537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).