3,4-difluoro-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide

C13H16F2N2O3S — CID 110345378

IUPAC3,4-difluoro-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
SMILESO=C(NCCS(=O)(=O)N1CCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H16F2N2O3S/c14-11-4-3-10(9-12(11)15)13(18)16-5-8-21(19,20)17-6-1-2-7-17/h3-4,9H,1-2,5-8H2,(H,16,18)
InChIKeyPWDCLBCYBNYBIK-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.12
Rot. Bonds5

About 3,4-difluoro-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide

3,4-difluoro-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide (PubChem CID 110345378) has the molecular formula C13H16F2N2O3S and a molecular weight of 318.34 g/mol. Its IUPAC name is 3,4-difluoro-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
PubChem CID110345378
Molecular FormulaC13H16F2N2O3S
Molecular Weight318.34 g/mol
Exact Mass318.08
IUPAC Name3,4-difluoro-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
SMILESO=C(NCCS(=O)(=O)N1CCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H16F2N2O3S/c14-11-4-3-10(9-12(11)15)13(18)16-5-8-21(19,20)17-6-1-2-7-17/h3-4,9H,1-2,5-8H2,(H,16,18)
InChIKeyPWDCLBCYBNYBIK-UHFFFAOYSA-N
XLogP1.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881239
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide
CID 110346034
3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)benzamide
CID 110287574
N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3,4-difluorobenzamide
CID 27377352
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 41349917
4-(3-hydroxy-3-methylbutyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 56909604
4-(4-fluorophenyl)-4-oxo-N-(2-piperidin-1-ylsulfonylethyl)butanamide
CID 110306646
N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3-fluorobenzamide
CID 42590095
2-ethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide
CID 72876019
2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 110345334
2-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide
CID 119066087
methyl 1-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylate
CID 7618747

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide?
The IUPAC name of 3,4-difluoro-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide (CID 110345378) is 3,4-difluoro-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide is O=C(NCCS(=O)(=O)N1CCCC1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide?
The InChIKey is PWDCLBCYBNYBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3S/c14-11-4-3-10(9-12(11)15)13(18)16-5-8-21(19,20)17-6-1-2-7-17/h3-4,9H,1-2,5-8H2,(H,16,18).
What are the key properties of 3,4-difluoro-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide?
3,4-difluoro-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide has a molecular weight of 318.34 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide is sourced from PubChem (CID 110345378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).