4-ethyl-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide

C12H14N2O2S2 — CID 110723412

IUPAC4-ethyl-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)c2nccs2)cc1
InChIInChI=1S/C12H14N2O2S2/c1-3-10-4-6-11(7-5-10)18(15,16)14(2)12-13-8-9-17-12/h4-9H,3H2,1-2H3
InChIKeyGQFNSEYNEMJOHL-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.53
Rot. Bonds4

About 4-ethyl-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-ethyl-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 110723412) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID110723412
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Name4-ethyl-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)c2nccs2)cc1
InChIInChI=1S/C12H14N2O2S2/c1-3-10-4-6-11(7-5-10)18(15,16)14(2)12-13-8-9-17-12/h4-9H,3H2,1-2H3
InChIKeyGQFNSEYNEMJOHL-UHFFFAOYSA-N
XLogP2.53
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 110723412) is 4-ethyl-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide is CCc1ccc(S(=O)(=O)N(C)c2nccs2)cc1.
What is the InChIKey of 4-ethyl-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is GQFNSEYNEMJOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-3-10-4-6-11(7-5-10)18(15,16)14(2)12-13-8-9-17-12/h4-9H,3H2,1-2H3.
What are the key properties of 4-ethyl-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-ethyl-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 282.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 110723412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).