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

C13H16N2O2S2 — CID 54673213

IUPACN,N-dimethyl-2-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1CCc1nccs1
InChIInChI=1S/C13H16N2O2S2/c1-15(2)19(16,17)12-6-4-3-5-11(12)7-8-13-14-9-10-18-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyGVJWUANGXSENLX-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.18
Rot. Bonds5

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

N,N-dimethyl-2-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 54673213) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID54673213
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC NameN,N-dimethyl-2-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1CCc1nccs1
InChIInChI=1S/C13H16N2O2S2/c1-15(2)19(16,17)12-6-4-3-5-11(12)7-8-13-14-9-10-18-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyGVJWUANGXSENLX-UHFFFAOYSA-N
XLogP2.18
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-2-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 54673213) is N,N-dimethyl-2-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1CCc1nccs1.
What is the InChIKey of N,N-dimethyl-2-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is GVJWUANGXSENLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-15(2)19(16,17)12-6-4-3-5-11(12)7-8-13-14-9-10-18-13/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
N,N-dimethyl-2-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 296.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 54673213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).