4-methyl-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide

C12H11F3N2O2S2 — CID 51102101

IUPAC4-methyl-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nccs2)cc1C(F)(F)F
InChIInChI=1S/C12H11F3N2O2S2/c1-8-2-3-9(6-10(8)12(13,14)15)21(18,19)17-7-11-16-4-5-20-11/h2-6,17H,7H2,1H3
InChIKeyHKMIFNWQIWEVQZ-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.95
Rot. Bonds4

About 4-methyl-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide

4-methyl-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 51102101) has the molecular formula C12H11F3N2O2S2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 4-methyl-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID51102101
Molecular FormulaC12H11F3N2O2S2
Molecular Weight336.36 g/mol
Exact Mass336.02
IUPAC Name4-methyl-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nccs2)cc1C(F)(F)F
InChIInChI=1S/C12H11F3N2O2S2/c1-8-2-3-9(6-10(8)12(13,14)15)21(18,19)17-7-11-16-4-5-20-11/h2-6,17H,7H2,1H3
InChIKeyHKMIFNWQIWEVQZ-UHFFFAOYSA-N
XLogP2.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 51102101) is 4-methyl-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2nccs2)cc1C(F)(F)F.
What is the InChIKey of 4-methyl-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HKMIFNWQIWEVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2S2/c1-8-2-3-9(6-10(8)12(13,14)15)21(18,19)17-7-11-16-4-5-20-11/h2-6,17H,7H2,1H3.
What are the key properties of 4-methyl-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
4-methyl-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 336.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 51102101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).