N-(2,4-difluorophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide

C17H15F2N3O4S — CID 55559568

IUPACN-(2,4-difluorophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
SMILESO=C1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3F)c2)CCN1
InChIInChI=1S/C17H15F2N3O4S/c18-12-4-5-15(14(19)9-12)21-17(24)11-2-1-3-13(8-11)27(25,26)22-7-6-20-16(23)10-22/h1-5,8-9H,6-7,10H2,(H,20,23)(H,21,24)
InChIKeyYOGVGSXKTAYMNA-UHFFFAOYSA-N
MW395.39 g/mol
LogP1.34
Rot. Bonds4

About N-(2,4-difluorophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide

N-(2,4-difluorophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide (PubChem CID 55559568) has the molecular formula C17H15F2N3O4S and a molecular weight of 395.39 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
PubChem CID55559568
Molecular FormulaC17H15F2N3O4S
Molecular Weight395.39 g/mol
Exact Mass395.08
IUPAC NameN-(2,4-difluorophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
SMILESO=C1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3F)c2)CCN1
InChIInChI=1S/C17H15F2N3O4S/c18-12-4-5-15(14(19)9-12)21-17(24)11-2-1-3-13(8-11)27(25,26)22-7-6-20-16(23)10-22/h1-5,8-9H,6-7,10H2,(H,20,23)(H,21,24)
InChIKeyYOGVGSXKTAYMNA-UHFFFAOYSA-N
XLogP1.34
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-fluorophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55559777
N-(5-chloro-2-methylphenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 46604362
N-[2-(dimethylsulfamoyl)phenyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55985734
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 43053642
3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide
CID 43068553
N-(3-methyl-2-pyridinyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 25332424
N-(3-methylbutan-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 43053331
3-(azepan-1-ylsulfonyl)-N-(2,5-difluorophenyl)benzamide
CID 2711406
3-(3-oxopiperazin-1-yl)sulfonyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
CID 30860962
N-(3-chloro-4-cyanophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 30785907
N-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26522940
N-(2-amino-2-methylpropyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119630422

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide (CID 55559568) is N-(2,4-difluorophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide is O=C1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3F)c2)CCN1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide?
The InChIKey is YOGVGSXKTAYMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O4S/c18-12-4-5-15(14(19)9-12)21-17(24)11-2-1-3-13(8-11)27(25,26)22-7-6-20-16(23)10-22/h1-5,8-9H,6-7,10H2,(H,20,23)(H,21,24).
What are the key properties of N-(2,4-difluorophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide?
N-(2,4-difluorophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide has a molecular weight of 395.39 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55559568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).