2-chloro-N-(3-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzenesulfonamide

C12H14ClF3N2O2S — CID 107423180

IUPAC2-chloro-N-(3-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCNC1
InChIInChI=1S/C12H14ClF3N2O2S/c1-11(4-5-17-7-11)18-21(19,20)10-6-8(12(14,15)16)2-3-9(10)13/h2-3,6,17-18H,4-5,7H2,1H3
InChIKeyYTARLVZBRJTAGL-UHFFFAOYSA-N
MW342.77 g/mol
LogP2.39
Rot. Bonds3

About 2-chloro-N-(3-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-(3-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 107423180) has the molecular formula C12H14ClF3N2O2S and a molecular weight of 342.77 g/mol. Its IUPAC name is 2-chloro-N-(3-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzenesulfonamide
PubChem CID107423180
Molecular FormulaC12H14ClF3N2O2S
Molecular Weight342.77 g/mol
Exact Mass342.04
IUPAC Name2-chloro-N-(3-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCNC1
InChIInChI=1S/C12H14ClF3N2O2S/c1-11(4-5-17-7-11)18-21(19,20)10-6-8(12(14,15)16)2-3-9(10)13/h2-3,6,17-18H,4-5,7H2,1H3
InChIKeyYTARLVZBRJTAGL-UHFFFAOYSA-N
XLogP2.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.77
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(3-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzenesulfonamide (CID 107423180) is 2-chloro-N-(3-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(3-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(3-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzenesulfonamide is CC1(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCNC1.
What is the InChIKey of 2-chloro-N-(3-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YTARLVZBRJTAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O2S/c1-11(4-5-17-7-11)18-21(19,20)10-6-8(12(14,15)16)2-3-9(10)13/h2-3,6,17-18H,4-5,7H2,1H3.
What are the key properties of 2-chloro-N-(3-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-(3-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 342.77 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 107423180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).