4-fluoro-N-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C17H16F2N2O3S — CID 18893490

IUPAC4-fluoro-N-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1F)c1ccc(F)cc1
InChIInChI=1S/C17H16F2N2O3S/c18-13-5-3-12(4-6-13)17(22)20-16-8-7-14(11-15(16)19)25(23,24)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,20,22)
InChIKeyVHUTXEFLMSHUDQ-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.00
Rot. Bonds4

About 4-fluoro-N-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)benzamide

4-fluoro-N-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 18893490) has the molecular formula C17H16F2N2O3S and a molecular weight of 366.39 g/mol. Its IUPAC name is 4-fluoro-N-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID18893490
Molecular FormulaC17H16F2N2O3S
Molecular Weight366.39 g/mol
Exact Mass366.08
IUPAC Name4-fluoro-N-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1F)c1ccc(F)cc1
InChIInChI=1S/C17H16F2N2O3S/c18-13-5-3-12(4-6-13)17(22)20-16-8-7-14(11-15(16)19)25(23,24)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,20,22)
InChIKeyVHUTXEFLMSHUDQ-UHFFFAOYSA-N
XLogP3.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 1355774
N-(2-chloro-4-fluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4810789
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
2-fluoro-N-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)benzamide
CID 18893328
4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)benzamide
CID 8759383
N-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26522940
4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide
CID 4313341
3-(azepan-1-ylsulfonyl)-N-(2,5-difluorophenyl)benzamide
CID 2711406
N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-fluorophenyl]-4-chlorobenzamide
CID 18892684
N-(2-fluoro-5-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 18267838
N-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4558929
N-(2,4-difluorophenyl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2326591

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-fluoro-N-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 18893490) is 4-fluoro-N-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1F)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is VHUTXEFLMSHUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3S/c18-13-5-3-12(4-6-13)17(22)20-16-8-7-14(11-15(16)19)25(23,24)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,20,22).
What are the key properties of 4-fluoro-N-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
4-fluoro-N-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 366.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 18893490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).