N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide

C15H16F3N3O2S2 — CID 90619684

IUPACN-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCN1c1nccs1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3N3O2S2/c16-15(17,18)11-3-5-13(6-4-11)25(22,23)20-10-12-2-1-8-21(12)14-19-7-9-24-14/h3-7,9,12,20H,1-2,8,10H2
InChIKeyPWBFTZQIRKJYMA-UHFFFAOYSA-N
MW391.44 g/mol
LogP3.11
Rot. Bonds5

About N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide

N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 90619684) has the molecular formula C15H16F3N3O2S2 and a molecular weight of 391.44 g/mol. Its IUPAC name is N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID90619684
Molecular FormulaC15H16F3N3O2S2
Molecular Weight391.44 g/mol
Exact Mass391.06
IUPAC NameN-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCN1c1nccs1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3N3O2S2/c16-15(17,18)11-3-5-13(6-4-11)25(22,23)20-10-12-2-1-8-21(12)14-19-7-9-24-14/h3-7,9,12,20H,1-2,8,10H2
InChIKeyPWBFTZQIRKJYMA-UHFFFAOYSA-N
XLogP3.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide (CID 90619684) is N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCC1CCCN1c1nccs1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PWBFTZQIRKJYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2S2/c16-15(17,18)11-3-5-13(6-4-11)25(22,23)20-10-12-2-1-8-21(12)14-19-7-9-24-14/h3-7,9,12,20H,1-2,8,10H2.
What are the key properties of N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 391.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 90619684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).