2-(difluoromethoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-(3-hydroxypropyl)benzenesulfonamide

C19H21F2NO4S — CID 126793268

IUPAC2-(difluoromethoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-(3-hydroxypropyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1OC(F)F)N(CCCO)C1CCc2ccccc21
InChIInChI=1S/C19H21F2NO4S/c20-19(21)26-17-8-3-4-9-18(17)27(24,25)22(12-5-13-23)16-11-10-14-6-1-2-7-15(14)16/h1-4,6-9,16,19,23H,5,10-13H2
InChIKeyGFCHPKDHXMTNGI-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.35
Rot. Bonds8

About 2-(difluoromethoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-(3-hydroxypropyl)benzenesulfonamide

2-(difluoromethoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 126793268) has the molecular formula C19H21F2NO4S and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-(3-hydroxypropyl)benzenesulfonamide
PubChem CID126793268
Molecular FormulaC19H21F2NO4S
Molecular Weight397.44 g/mol
Exact Mass397.12
IUPAC Name2-(difluoromethoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-(3-hydroxypropyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1OC(F)F)N(CCCO)C1CCc2ccccc21
InChIInChI=1S/C19H21F2NO4S/c20-19(21)26-17-8-3-4-9-18(17)27(24,25)22(12-5-13-23)16-11-10-14-6-1-2-7-15(14)16/h1-4,6-9,16,19,23H,5,10-13H2
InChIKeyGFCHPKDHXMTNGI-UHFFFAOYSA-N
XLogP3.35
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 2-(difluoromethoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-(3-hydroxypropyl)benzenesulfonamide (CID 126793268) is 2-(difluoromethoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 2-(difluoromethoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-(3-hydroxypropyl)benzenesulfonamide is O=S(=O)(c1ccccc1OC(F)F)N(CCCO)C1CCc2ccccc21.
What is the InChIKey of 2-(difluoromethoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is GFCHPKDHXMTNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO4S/c20-19(21)26-17-8-3-4-9-18(17)27(24,25)22(12-5-13-23)16-11-10-14-6-1-2-7-15(14)16/h1-4,6-9,16,19,23H,5,10-13H2.
What are the key properties of 2-(difluoromethoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-(3-hydroxypropyl)benzenesulfonamide?
2-(difluoromethoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 397.44 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 126793268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).