N-(6-propyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzenesulfonamide

C17H16F3NO4S — CID 91962367

IUPACN-(6-propyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCCCc1cc2c(cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1)OCO2
InChIInChI=1S/C17H16F3NO4S/c1-2-4-11-7-15-16(25-10-24-15)9-14(11)21-26(22,23)13-6-3-5-12(8-13)17(18,19)20/h3,5-9,21H,2,4,10H2,1H3
InChIKeyRAMLPSWDSMKHAL-UHFFFAOYSA-N
MW387.38 g/mol
LogP4.19
Rot. Bonds5

About N-(6-propyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzenesulfonamide

N-(6-propyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 91962367) has the molecular formula C17H16F3NO4S and a molecular weight of 387.38 g/mol. Its IUPAC name is N-(6-propyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-propyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID91962367
Molecular FormulaC17H16F3NO4S
Molecular Weight387.38 g/mol
Exact Mass387.08
IUPAC NameN-(6-propyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCCCc1cc2c(cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1)OCO2
InChIInChI=1S/C17H16F3NO4S/c1-2-4-11-7-15-16(25-10-24-15)9-14(11)21-26(22,23)13-6-3-5-12(8-13)17(18,19)20/h3,5-9,21H,2,4,10H2,1H3
InChIKeyRAMLPSWDSMKHAL-UHFFFAOYSA-N
XLogP4.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-N,N-dimethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 24580638
N-(4-ethyl-1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 104621164
N-[2-fluoro-4-methyl-5-(2-methylbutan-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 170149312
N,N-diethyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 25331420
N-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3729383
N-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536122
N-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 52838841
N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 25494632
N-octyl-3-(trifluoromethyl)benzenesulfonamide
CID 67803477
N-dodecyl-3-(trifluoromethyl)benzenesulfonamide
CID 23358572
N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 135058672
N-(2-prop-2-enylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536163

Frequently Asked Questions

What is the IUPAC name of N-(6-propyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(6-propyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 91962367) is N-(6-propyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(6-propyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(6-propyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzenesulfonamide is CCCc1cc2c(cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1)OCO2.
What is the InChIKey of N-(6-propyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RAMLPSWDSMKHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO4S/c1-2-4-11-7-15-16(25-10-24-15)9-14(11)21-26(22,23)13-6-3-5-12(8-13)17(18,19)20/h3,5-9,21H,2,4,10H2,1H3.
What are the key properties of N-(6-propyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(6-propyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 387.38 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-propyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 91962367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).