2-fluoro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide

C18H18FN3O4S — CID 3443855

IUPAC2-fluoro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H18FN3O4S/c19-16-6-2-1-5-15(16)18(24)21-20-17(23)13-7-9-14(10-8-13)27(25,26)22-11-3-4-12-22/h1-2,5-10H,3-4,11-12H2,(H,20,23)(H,21,24)
InChIKeyJGBYPROTDJVFRP-UHFFFAOYSA-N
MW391.42 g/mol
LogP1.68
Rot. Bonds4

About 2-fluoro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide

2-fluoro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide (PubChem CID 3443855) has the molecular formula C18H18FN3O4S and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-fluoro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
PubChem CID3443855
Molecular FormulaC18H18FN3O4S
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC Name2-fluoro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H18FN3O4S/c19-16-6-2-1-5-15(16)18(24)21-20-17(23)13-7-9-14(10-8-13)27(25,26)22-11-3-4-12-22/h1-2,5-10H,3-4,11-12H2,(H,20,23)(H,21,24)
InChIKeyJGBYPROTDJVFRP-UHFFFAOYSA-N
XLogP1.68
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 51.68
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-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4288
N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4290
4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophenyl)Methyl]-Benzamide
CID 446240
N-(2,3-Difluoro-benzyl)-4-sulfamoyl-benzamide
CID 1700
4-(Aminosulfonyl)-N-((4-Fluorophenyl)Methyl)-Benzamide
CID 446237
4-(Aminosulfonyl)-N-[(2,4-Difluorophenyl)Methyl]-Benzamide
CID 446238
4-(Aminosulfonyl)-N-[(2,5-Difluorophenyl)Methyl]-Benzamide
CID 446239
4-(Aminosulfonyl)-N-((2,4,6-Trifluorophenyl)Methyl)-Benzamide
CID 446241
4-(Aminosulfonyl)-N-((3,4,5-Trifluorophenyl)Methyl)-Benzamide
CID 446242
N'-(2-fluorobenzenesulfonyl)benzohydrazide
CID 16385222
N'-[(2-fluorophenyl)sulfonyl]-3-iodobenzohydrazide
CID 135298708
3-Fluorobenzoic acid 2-(phenylsulfonyl)hydrazide
CID 809461

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide?
The IUPAC name of 2-fluoro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide (CID 3443855) is 2-fluoro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide?
The canonical SMILES for 2-fluoro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide is O=C(NNC(=O)c1ccccc1F)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-fluoro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide?
The InChIKey is JGBYPROTDJVFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4S/c19-16-6-2-1-5-15(16)18(24)21-20-17(23)13-7-9-14(10-8-13)27(25,26)22-11-3-4-12-22/h1-2,5-10H,3-4,11-12H2,(H,20,23)(H,21,24).
What are the key properties of 2-fluoro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide?
2-fluoro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide has a molecular weight of 391.42 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide is sourced from PubChem (CID 3443855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).