N,2,4-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide

C14H18N2O2S2 — CID 110716059

IUPACN,2,4-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CCc2nccs2)c(C)c1
InChIInChI=1S/C14H18N2O2S2/c1-11-4-5-13(12(2)10-11)20(17,18)16(3)8-6-14-15-7-9-19-14/h4-5,7,9-10H,6,8H2,1-3H3
InChIKeyQAGSYLURGGRTKU-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.62
Rot. Bonds5

About N,2,4-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide

N,2,4-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 110716059) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N,2,4-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,2,4-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID110716059
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN,2,4-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CCc2nccs2)c(C)c1
InChIInChI=1S/C14H18N2O2S2/c1-11-4-5-13(12(2)10-11)20(17,18)16(3)8-6-14-15-7-9-19-14/h4-5,7,9-10H,6,8H2,1-3H3
InChIKeyQAGSYLURGGRTKU-UHFFFAOYSA-N
XLogP2.62
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of N,2,4-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 110716059) is N,2,4-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N,2,4-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N,2,4-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CCc2nccs2)c(C)c1.
What is the InChIKey of N,2,4-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is QAGSYLURGGRTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-11-4-5-13(12(2)10-11)20(17,18)16(3)8-6-14-15-7-9-19-14/h4-5,7,9-10H,6,8H2,1-3H3.
What are the key properties of N,2,4-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
N,2,4-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110716059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).