4-tert-butyl-3-fluoro-N-methyl-N-[2-methyl-2-(1,3-thiazol-5-yl)propyl]benzenesulfonamide

C18H25FN2O2S2 — CID 155179637

IUPAC4-tert-butyl-3-fluoro-N-methyl-N-[2-methyl-2-(1,3-thiazol-5-yl)propyl]benzenesulfonamide
SMILESCN(CC(C)(C)c1cncs1)S(=O)(=O)c1ccc(C(C)(C)C)c(F)c1
InChIInChI=1S/C18H25FN2O2S2/c1-17(2,3)14-8-7-13(9-15(14)19)25(22,23)21(6)11-18(4,5)16-10-20-12-24-16/h7-10,12H,11H2,1-6H3
InChIKeyAVFYDLVTVGBQJH-UHFFFAOYSA-N
MW384.54 g/mol
LogP4.18
Rot. Bonds5

About 4-tert-butyl-3-fluoro-N-methyl-N-[2-methyl-2-(1,3-thiazol-5-yl)propyl]benzenesulfonamide

4-tert-butyl-3-fluoro-N-methyl-N-[2-methyl-2-(1,3-thiazol-5-yl)propyl]benzenesulfonamide (PubChem CID 155179637) has the molecular formula C18H25FN2O2S2 and a molecular weight of 384.54 g/mol. Its IUPAC name is 4-tert-butyl-3-fluoro-N-methyl-N-[2-methyl-2-(1,3-thiazol-5-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-3-fluoro-N-methyl-N-[2-methyl-2-(1,3-thiazol-5-yl)propyl]benzenesulfonamide
PubChem CID155179637
Molecular FormulaC18H25FN2O2S2
Molecular Weight384.54 g/mol
Exact Mass384.13
IUPAC Name4-tert-butyl-3-fluoro-N-methyl-N-[2-methyl-2-(1,3-thiazol-5-yl)propyl]benzenesulfonamide
SMILESCN(CC(C)(C)c1cncs1)S(=O)(=O)c1ccc(C(C)(C)C)c(F)c1
InChIInChI=1S/C18H25FN2O2S2/c1-17(2,3)14-8-7-13(9-15(14)19)25(22,23)21(6)11-18(4,5)16-10-20-12-24-16/h7-10,12H,11H2,1-6H3
InChIKeyAVFYDLVTVGBQJH-UHFFFAOYSA-N
XLogP4.18
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-fluoro-N-methyl-N-[2-methyl-2-(1,3-thiazol-5-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-3-fluoro-N-methyl-N-[2-methyl-2-(1,3-thiazol-5-yl)propyl]benzenesulfonamide (CID 155179637) is 4-tert-butyl-3-fluoro-N-methyl-N-[2-methyl-2-(1,3-thiazol-5-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-3-fluoro-N-methyl-N-[2-methyl-2-(1,3-thiazol-5-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-3-fluoro-N-methyl-N-[2-methyl-2-(1,3-thiazol-5-yl)propyl]benzenesulfonamide is CN(CC(C)(C)c1cncs1)S(=O)(=O)c1ccc(C(C)(C)C)c(F)c1.
What is the InChIKey of 4-tert-butyl-3-fluoro-N-methyl-N-[2-methyl-2-(1,3-thiazol-5-yl)propyl]benzenesulfonamide?
The InChIKey is AVFYDLVTVGBQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2S2/c1-17(2,3)14-8-7-13(9-15(14)19)25(22,23)21(6)11-18(4,5)16-10-20-12-24-16/h7-10,12H,11H2,1-6H3.
What are the key properties of 4-tert-butyl-3-fluoro-N-methyl-N-[2-methyl-2-(1,3-thiazol-5-yl)propyl]benzenesulfonamide?
4-tert-butyl-3-fluoro-N-methyl-N-[2-methyl-2-(1,3-thiazol-5-yl)propyl]benzenesulfonamide has a molecular weight of 384.54 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-fluoro-N-methyl-N-[2-methyl-2-(1,3-thiazol-5-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 155179637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).