N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzenesulfonamide

C13H17F3N2O2S — CID 63299124

IUPACN-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
SMILESCCN(C1CCNC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2S/c1-2-18(11-7-8-17-9-11)21(19,20)12-5-3-10(4-6-12)13(14,15)16/h3-6,11,17H,2,7-9H2,1H3
InChIKeyYJUQDFVTFZHECM-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.08
Rot. Bonds4

About N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzenesulfonamide

N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 63299124) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
PubChem CID63299124
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC NameN-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
SMILESCCN(C1CCNC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2S/c1-2-18(11-7-8-17-9-11)21(19,20)12-5-3-10(4-6-12)13(14,15)16/h3-6,11,17H,2,7-9H2,1H3
InChIKeyYJUQDFVTFZHECM-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzenesulfonamide (CID 63299124) is N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzenesulfonamide is CCN(C1CCNC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YJUQDFVTFZHECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c1-2-18(11-7-8-17-9-11)21(19,20)12-5-3-10(4-6-12)13(14,15)16/h3-6,11,17H,2,7-9H2,1H3.
What are the key properties of N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzenesulfonamide?
N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 322.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 63299124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).