4-(2,2-difluoroethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide

C17H18F2N2O3S — CID 120724165

IUPAC4-(2,2-difluoroethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc2c(c1)CNC2)c1ccc(OCC(F)F)cc1
InChIInChI=1S/C17H18F2N2O3S/c18-17(19)11-24-15-3-5-16(6-4-15)25(22,23)21-8-12-1-2-13-9-20-10-14(13)7-12/h1-7,17,20-21H,8-11H2
InChIKeyVNZSEQGYAVCPDW-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.41
Rot. Bonds7

About 4-(2,2-difluoroethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide

4-(2,2-difluoroethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide (PubChem CID 120724165) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide
PubChem CID120724165
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC Name4-(2,2-difluoroethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc2c(c1)CNC2)c1ccc(OCC(F)F)cc1
InChIInChI=1S/C17H18F2N2O3S/c18-17(19)11-24-15-3-5-16(6-4-15)25(22,23)21-8-12-1-2-13-9-20-10-14(13)7-12/h1-7,17,20-21H,8-11H2
InChIKeyVNZSEQGYAVCPDW-UHFFFAOYSA-N
XLogP2.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide (CID 120724165) is 4-(2,2-difluoroethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccc2c(c1)CNC2)c1ccc(OCC(F)F)cc1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide?
The InChIKey is VNZSEQGYAVCPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c18-17(19)11-24-15-3-5-16(6-4-15)25(22,23)21-8-12-1-2-13-9-20-10-14(13)7-12/h1-7,17,20-21H,8-11H2.
What are the key properties of 4-(2,2-difluoroethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide?
4-(2,2-difluoroethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide has a molecular weight of 368.41 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 120724165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).