2-methyl-N-(3-methylpyrrolidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide

C13H17F3N2O2S — CID 107423310

IUPAC2-methyl-N-(3-methylpyrrolidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1c(C(F)(F)F)cccc1S(=O)(=O)NC1(C)CCNC1
InChIInChI=1S/C13H17F3N2O2S/c1-9-10(13(14,15)16)4-3-5-11(9)21(19,20)18-12(2)6-7-17-8-12/h3-5,17-18H,6-8H2,1-2H3
InChIKeyOLQILYGATHRRDC-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.04
Rot. Bonds3

About 2-methyl-N-(3-methylpyrrolidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide

2-methyl-N-(3-methylpyrrolidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 107423310) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 2-methyl-N-(3-methylpyrrolidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylpyrrolidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID107423310
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name2-methyl-N-(3-methylpyrrolidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1c(C(F)(F)F)cccc1S(=O)(=O)NC1(C)CCNC1
InChIInChI=1S/C13H17F3N2O2S/c1-9-10(13(14,15)16)4-3-5-11(9)21(19,20)18-12(2)6-7-17-8-12/h3-5,17-18H,6-8H2,1-2H3
InChIKeyOLQILYGATHRRDC-UHFFFAOYSA-N
XLogP2.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylpyrrolidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(3-methylpyrrolidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 107423310) is 2-methyl-N-(3-methylpyrrolidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(3-methylpyrrolidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(3-methylpyrrolidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide is Cc1c(C(F)(F)F)cccc1S(=O)(=O)NC1(C)CCNC1.
What is the InChIKey of 2-methyl-N-(3-methylpyrrolidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is OLQILYGATHRRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c1-9-10(13(14,15)16)4-3-5-11(9)21(19,20)18-12(2)6-7-17-8-12/h3-5,17-18H,6-8H2,1-2H3.
What are the key properties of 2-methyl-N-(3-methylpyrrolidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
2-methyl-N-(3-methylpyrrolidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 322.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylpyrrolidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 107423310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).