N-(1,3-benzodioxol-5-yl)-2-(trifluoromethyl)benzenesulfonamide

C14H10F3NO4S — CID 2486047

IUPACN-(1,3-benzodioxol-5-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO4S/c15-14(16,17)10-3-1-2-4-13(10)23(19,20)18-9-5-6-11-12(7-9)22-8-21-11/h1-7,18H,8H2
InChIKeyBKMCSGMNPSANON-UHFFFAOYSA-N
MW345.30 g/mol
LogP3.23
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-(trifluoromethyl)benzenesulfonamide

N-(1,3-benzodioxol-5-yl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 2486047) has the molecular formula C14H10F3NO4S and a molecular weight of 345.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID2486047
Molecular FormulaC14H10F3NO4S
Molecular Weight345.30 g/mol
Exact Mass345.03
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO4S/c15-14(16,17)10-3-1-2-4-13(10)23(19,20)18-9-5-6-11-12(7-9)22-8-21-11/h1-7,18H,8H2
InChIKeyBKMCSGMNPSANON-UHFFFAOYSA-N
XLogP3.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(trifluoromethyl)benzenesulfonamide (CID 2486047) is N-(1,3-benzodioxol-5-yl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BKMCSGMNPSANON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO4S/c15-14(16,17)10-3-1-2-4-13(10)23(19,20)18-9-5-6-11-12(7-9)22-8-21-11/h1-7,18H,8H2.
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(trifluoromethyl)benzenesulfonamide?
N-(1,3-benzodioxol-5-yl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 345.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2486047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).