N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-3,4-difluorobenzamide

C18H18F2N2O3S — CID 18574803

IUPACN-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-3,4-difluorobenzamide
SMILESO=C(NCC1CCCN1S(=O)(=O)c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H18F2N2O3S/c19-16-9-8-13(11-17(16)20)18(23)21-12-14-5-4-10-22(14)26(24,25)15-6-2-1-3-7-15/h1-3,6-9,11,14H,4-5,10,12H2,(H,21,23)
InChIKeyOZXYSNQHKAVLLS-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.55
Rot. Bonds5

About N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-3,4-difluorobenzamide

N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-3,4-difluorobenzamide (PubChem CID 18574803) has the molecular formula C18H18F2N2O3S and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-3,4-difluorobenzamide
PubChem CID18574803
Molecular FormulaC18H18F2N2O3S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC NameN-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-3,4-difluorobenzamide
SMILESO=C(NCC1CCCN1S(=O)(=O)c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H18F2N2O3S/c19-16-9-8-13(11-17(16)20)18(23)21-12-14-5-4-10-22(14)26(24,25)15-6-2-1-3-7-15/h1-3,6-9,11,14H,4-5,10,12H2,(H,21,23)
InChIKeyOZXYSNQHKAVLLS-UHFFFAOYSA-N
XLogP2.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-3,4-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 7286122
3,4-difluoro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 72719264
3,4-difluoro-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]benzamide
CID 99903473
N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286245
4-chloro-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286218
N'-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N-ethyloxamide
CID 7286107
3-amino-N-[[1-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide
CID 120584763
3-chloro-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 16829934
N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N'-cyclopentyloxamide
CID 18574773
N-[[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]pyridine-4-carboxamide
CID 71172557
ethyl 2-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methylamino]-2-oxoacetate
CID 7286054
4-fluoro-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286373

Frequently Asked Questions

What is the IUPAC name of N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-3,4-difluorobenzamide?
The IUPAC name of N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-3,4-difluorobenzamide (CID 18574803) is N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-3,4-difluorobenzamide is O=C(NCC1CCCN1S(=O)(=O)c1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-3,4-difluorobenzamide?
The InChIKey is OZXYSNQHKAVLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3S/c19-16-9-8-13(11-17(16)20)18(23)21-12-14-5-4-10-22(14)26(24,25)15-6-2-1-3-7-15/h1-3,6-9,11,14H,4-5,10,12H2,(H,21,23).
What are the key properties of N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-3,4-difluorobenzamide?
N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-3,4-difluorobenzamide has a molecular weight of 380.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-3,4-difluorobenzamide is sourced from PubChem (CID 18574803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).