(2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-nitrophenyl)pyrrolidine-2-carbohydrazide

C17H17FN4O5S — CID 26720866

IUPAC(2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-nitrophenyl)pyrrolidine-2-carbohydrazide
SMILESO=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN4O5S/c18-12-7-9-13(10-8-12)28(26,27)21-11-3-6-16(21)17(23)20-19-14-4-1-2-5-15(14)22(24)25/h1-2,4-5,7-10,16,19H,3,6,11H2,(H,20,23)/t16-/m0/s1
InChIKeyDYWJNAFSEJHSRO-INIZCTEOSA-N
MW408.41 g/mol
LogP2.03
Rot. Bonds6

About (2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-nitrophenyl)pyrrolidine-2-carbohydrazide

(2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-nitrophenyl)pyrrolidine-2-carbohydrazide (PubChem CID 26720866) has the molecular formula C17H17FN4O5S and a molecular weight of 408.41 g/mol. Its IUPAC name is (2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-nitrophenyl)pyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name(2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-nitrophenyl)pyrrolidine-2-carbohydrazide
PubChem CID26720866
Molecular FormulaC17H17FN4O5S
Molecular Weight408.41 g/mol
Exact Mass408.09
IUPAC Name(2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-nitrophenyl)pyrrolidine-2-carbohydrazide
SMILESO=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN4O5S/c18-12-7-9-13(10-8-12)28(26,27)21-11-3-6-16(21)17(23)20-19-14-4-1-2-5-15(14)22(24)25/h1-2,4-5,7-10,16,19H,3,6,11H2,(H,20,23)/t16-/m0/s1
InChIKeyDYWJNAFSEJHSRO-INIZCTEOSA-N
XLogP2.03
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(benzenesulfonyl)-N'-(4-fluorophenyl)pyrrolidine-2-carbohydrazide
CID 51935537
(2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-phenylacetyl)piperidine-2-carbohydrazide
CID 57118359
(2S)-N-(3-acetamido-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 24673596
(2R)-N-(2-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865512
1-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)pyrrolidine-2-carboxamide
CID 132667301
(2R)-N-(3-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 51684558
1-(4-fluorophenyl)sulfonyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 18150496
1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 2947537
(2S)-N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865510
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865516
(2R)-N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 9401319
(2S)-N-(2-benzylsulfanylethyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 9490325

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-nitrophenyl)pyrrolidine-2-carbohydrazide?
The IUPAC name of (2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-nitrophenyl)pyrrolidine-2-carbohydrazide (CID 26720866) is (2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-nitrophenyl)pyrrolidine-2-carbohydrazide.
What is the SMILES notation for (2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-nitrophenyl)pyrrolidine-2-carbohydrazide?
The canonical SMILES for (2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-nitrophenyl)pyrrolidine-2-carbohydrazide is O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-nitrophenyl)pyrrolidine-2-carbohydrazide?
The InChIKey is DYWJNAFSEJHSRO-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17FN4O5S/c18-12-7-9-13(10-8-12)28(26,27)21-11-3-6-16(21)17(23)20-19-14-4-1-2-5-15(14)22(24)25/h1-2,4-5,7-10,16,19H,3,6,11H2,(H,20,23)/t16-/m0/s1.
What are the key properties of (2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-nitrophenyl)pyrrolidine-2-carbohydrazide?
(2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-nitrophenyl)pyrrolidine-2-carbohydrazide has a molecular weight of 408.41 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-nitrophenyl)pyrrolidine-2-carbohydrazide is sourced from PubChem (CID 26720866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).