N-(2,4-difluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide

C17H16F2N2O3S — CID 1355774

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

About N-(2,4-difluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(2,4-difluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 1355774) has the molecular formula C17H16F2N2O3S and a molecular weight of 366.39 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID1355774
Molecular FormulaC17H16F2N2O3S
Molecular Weight366.39 g/mol
Exact Mass366.08
IUPAC NameN-(2,4-difluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H16F2N2O3S/c18-13-5-8-16(15(19)11-13)20-17(22)12-3-6-14(7-4-12)25(23,24)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,20,22)
InChIKeyKPMZFIRTMAOYAO-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

4-fluoro-N-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 18893490
N-(2-chloro-4-fluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4810789
N-(2,4-difluorophenyl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2326591
N-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4558929
4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)benzamide
CID 8759383
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide
CID 2665307
N-(2,4-difluorophenyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 45375671
N-(6-fluoro-2-methylquinolin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 39850616
4-(azepane-1-carbonyl)-N-(2,4-difluorophenyl)benzamide
CID 109049185
4-(azepan-1-ylsulfonyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide
CID 8782191

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 1355774) is N-(2,4-difluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(F)cc1F)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is KPMZFIRTMAOYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3S/c18-13-5-8-16(15(19)11-13)20-17(22)12-3-6-14(7-4-12)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 N-(2,4-difluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(2,4-difluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide 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 N-(2,4-difluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1355774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).