N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-difluorobenzenesulfonamide

C13H18F2N2O2S — CID 6733537

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-difluorobenzenesulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C13H18F2N2O2S/c1-2-17-8-4-5-10(17)9-16-20(18,19)13-11(14)6-3-7-12(13)15/h3,6-7,10,16H,2,4-5,8-9H2,1H3
InChIKeyJGCLQRCJZXDAQM-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.73
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-difluorobenzenesulfonamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-difluorobenzenesulfonamide (PubChem CID 6733537) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-difluorobenzenesulfonamide
PubChem CID6733537
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-difluorobenzenesulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C13H18F2N2O2S/c1-2-17-8-4-5-10(17)9-16-20(18,19)13-11(14)6-3-7-12(13)15/h3,6-7,10,16H,2,4-5,8-9H2,1H3
InChIKeyJGCLQRCJZXDAQM-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-difluorobenzenesulfonamide (CID 6733537) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-difluorobenzenesulfonamide is CCN1CCCC1CNS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-difluorobenzenesulfonamide?
The InChIKey is JGCLQRCJZXDAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c1-2-17-8-4-5-10(17)9-16-20(18,19)13-11(14)6-3-7-12(13)15/h3,6-7,10,16H,2,4-5,8-9H2,1H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-difluorobenzenesulfonamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-difluorobenzenesulfonamide has a molecular weight of 304.36 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 6733537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).