2,5-difluoro-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide

C14H20F2N2O3S — CID 94825249

IUPAC2,5-difluoro-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
SMILESCOCCN1CCC[C@H]1CNS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H20F2N2O3S/c1-21-8-7-18-6-2-3-12(18)10-17-22(19,20)14-9-11(15)4-5-13(14)16/h4-5,9,12,17H,2-3,6-8,10H2,1H3/t12-/m0/s1
InChIKeyHCUMFBRKVKUCIN-LBPRGKRZSA-N
MW334.39 g/mol
LogP1.35
Rot. Bonds7

About 2,5-difluoro-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide

2,5-difluoro-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide (PubChem CID 94825249) has the molecular formula C14H20F2N2O3S and a molecular weight of 334.39 g/mol. Its IUPAC name is 2,5-difluoro-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
PubChem CID94825249
Molecular FormulaC14H20F2N2O3S
Molecular Weight334.39 g/mol
Exact Mass334.12
IUPAC Name2,5-difluoro-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
SMILESCOCCN1CCC[C@H]1CNS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H20F2N2O3S/c1-21-8-7-18-6-2-3-12(18)10-17-22(19,20)14-9-11(15)4-5-13(14)16/h4-5,9,12,17H,2-3,6-8,10H2,1H3/t12-/m0/s1
InChIKeyHCUMFBRKVKUCIN-LBPRGKRZSA-N
XLogP1.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-difluoro-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 94825248
2,5-dibromo-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 56513113
2,4,6-trichloro-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 56514036
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 56512850
2-(3-fluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide
CID 95296221
N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide
CID 99816349
5-fluoro-2-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106094809
4-bromo-2-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 103270066
N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylsulfonylbenzamide
CID 95271489
1-ethyl-2-[(4-fluoro-3-methylphenyl)methyl]-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine
CID 111854400
N-[[(2S)-1-butylpiperidin-2-yl]methyl]-3,4-difluorobenzenesulfonamide
CID 52539410
2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 43344425

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide (CID 94825249) is 2,5-difluoro-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide is COCCN1CCC[C@H]1CNS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide?
The InChIKey is HCUMFBRKVKUCIN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20F2N2O3S/c1-21-8-7-18-6-2-3-12(18)10-17-22(19,20)14-9-11(15)4-5-13(14)16/h4-5,9,12,17H,2-3,6-8,10H2,1H3/t12-/m0/s1.
What are the key properties of 2,5-difluoro-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide?
2,5-difluoro-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide has a molecular weight of 334.39 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 94825249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).