5-(benzenesulfonyl)-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide

C16H16F3NO5S2 — CID 69116587

IUPAC5-(benzenesulfonyl)-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(O)CNS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)ccc1C(F)(F)F
InChIInChI=1S/C16H16F3NO5S2/c1-11(21)10-20-27(24,25)15-9-13(7-8-14(15)16(17,18)19)26(22,23)12-5-3-2-4-6-12/h2-9,11,20-21H,10H2,1H3
InChIKeyLGUPYRJKEOFLDJ-UHFFFAOYSA-N
MW423.43 g/mol
LogP2.20
Rot. Bonds6

About 5-(benzenesulfonyl)-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide

5-(benzenesulfonyl)-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 69116587) has the molecular formula C16H16F3NO5S2 and a molecular weight of 423.43 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID69116587
Molecular FormulaC16H16F3NO5S2
Molecular Weight423.43 g/mol
Exact Mass423.04
IUPAC Name5-(benzenesulfonyl)-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(O)CNS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)ccc1C(F)(F)F
InChIInChI=1S/C16H16F3NO5S2/c1-11(21)10-20-27(24,25)15-9-13(7-8-14(15)16(17,18)19)26(22,23)12-5-3-2-4-6-12/h2-9,11,20-21H,10H2,1H3
InChIKeyLGUPYRJKEOFLDJ-UHFFFAOYSA-N
XLogP2.20
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 5-(benzenesulfonyl)-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide (CID 69116587) is 5-(benzenesulfonyl)-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 5-(benzenesulfonyl)-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 5-(benzenesulfonyl)-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide is CC(O)CNS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)ccc1C(F)(F)F.
What is the InChIKey of 5-(benzenesulfonyl)-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LGUPYRJKEOFLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO5S2/c1-11(21)10-20-27(24,25)15-9-13(7-8-14(15)16(17,18)19)26(22,23)12-5-3-2-4-6-12/h2-9,11,20-21H,10H2,1H3.
What are the key properties of 5-(benzenesulfonyl)-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide?
5-(benzenesulfonyl)-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 423.43 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 69116587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).