2,6-difluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide

C17H16F2N2O3S — CID 26252564

IUPAC2,6-difluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1c(F)cccc1F
InChIInChI=1S/C17H16F2N2O3S/c18-14-7-4-8-15(19)16(14)17(22)20-12-5-3-6-13(11-12)25(23,24)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,20,22)
InChIKeyKRULOPIKKFZFNS-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.00
Rot. Bonds4

About 2,6-difluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide

2,6-difluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 26252564) has the molecular formula C17H16F2N2O3S and a molecular weight of 366.39 g/mol. Its IUPAC name is 2,6-difluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID26252564
Molecular FormulaC17H16F2N2O3S
Molecular Weight366.39 g/mol
Exact Mass366.08
IUPAC Name2,6-difluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1c(F)cccc1F
InChIInChI=1S/C17H16F2N2O3S/c18-14-7-4-8-15(19)16(14)17(22)20-12-5-3-6-13(11-12)25(23,24)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,20,22)
InChIKeyKRULOPIKKFZFNS-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

2,6-difluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1247061
2-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759853
2,6-difluoro-N-[3-methyl-1-oxo-1-(3-piperidin-1-ylsulfonylanilino)butan-2-yl]benzamide
CID 4963368
2,3-dichloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 42991910
7-fluoro-3-methyl-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 31009311
3,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 7760096
1,3,5-trimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide
CID 17434709
2,6-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742152
2,4-difluoro-N-[3-oxo-3-(3-piperidin-1-ylsulfonylanilino)propyl]benzamide
CID 30668165
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
N-[3-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzamide
CID 7929786
6-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 119179197

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2,6-difluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 26252564) is 2,6-difluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is KRULOPIKKFZFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3S/c18-14-7-4-8-15(19)16(14)17(22)20-12-5-3-6-13(11-12)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 2,6-difluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
2,6-difluoro-N-(3-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 2,6-difluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 26252564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).