4-chloro-N'-(2-fluorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide

C18H17ClFN3O4S — CID 2124994

IUPAC4-chloro-N'-(2-fluorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H17ClFN3O4S/c19-14-8-7-12(11-16(14)28(26,27)23-9-3-4-10-23)17(24)21-22-18(25)13-5-1-2-6-15(13)20/h1-2,5-8,11H,3-4,9-10H2,(H,21,24)(H,22,25)
InChIKeyPJPLKMIEBSDRND-UHFFFAOYSA-N
MW425.87 g/mol
LogP2.34
Rot. Bonds4

About 4-chloro-N'-(2-fluorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide

4-chloro-N'-(2-fluorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide (PubChem CID 2124994) has the molecular formula C18H17ClFN3O4S and a molecular weight of 425.87 g/mol. Its IUPAC name is 4-chloro-N'-(2-fluorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(2-fluorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
PubChem CID2124994
Molecular FormulaC18H17ClFN3O4S
Molecular Weight425.87 g/mol
Exact Mass425.06
IUPAC Name4-chloro-N'-(2-fluorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H17ClFN3O4S/c19-14-8-7-12(11-16(14)28(26,27)23-9-3-4-10-23)17(24)21-22-18(25)13-5-1-2-6-15(13)20/h1-2,5-8,11H,3-4,9-10H2,(H,21,24)(H,22,25)
InChIKeyPJPLKMIEBSDRND-UHFFFAOYSA-N
XLogP2.34
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.87
LogP ≤ 52.34
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

N'-benzoyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 2543514
4-chloro-N'-phenyl-3-piperidin-1-ylsulfonylbenzohydrazide
CID 78774797
3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 30873246
4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2704875
4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 55333909
[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 16644067
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157
4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 4806697
N'-(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)adamantane-1-carbohydrazide
CID 3638454
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide
CID 3363569
4-fluoro-N'-(2-phenylacetyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 26863667
4-chloro-N-[2-(4-chlorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92532196

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(2-fluorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
The IUPAC name of 4-chloro-N'-(2-fluorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide (CID 2124994) is 4-chloro-N'-(2-fluorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide.
What is the SMILES notation for 4-chloro-N'-(2-fluorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
The canonical SMILES for 4-chloro-N'-(2-fluorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide is O=C(NNC(=O)c1ccccc1F)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 4-chloro-N'-(2-fluorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
The InChIKey is PJPLKMIEBSDRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O4S/c19-14-8-7-12(11-16(14)28(26,27)23-9-3-4-10-23)17(24)21-22-18(25)13-5-1-2-6-15(13)20/h1-2,5-8,11H,3-4,9-10H2,(H,21,24)(H,22,25).
What are the key properties of 4-chloro-N'-(2-fluorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
4-chloro-N'-(2-fluorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide has a molecular weight of 425.87 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(2-fluorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide is sourced from PubChem (CID 2124994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).