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

C14H18N2O2S2 — CID 7119044

IUPAC4-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2csc(C)n2)cc1
InChIInChI=1S/C14H18N2O2S2/c1-3-12-4-6-14(7-5-12)20(17,18)15-9-8-13-10-19-11(2)16-13/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyVABBRVRRIFBDIE-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.53
Rot. Bonds6

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

4-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 7119044) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID7119044
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name4-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2csc(C)n2)cc1
InChIInChI=1S/C14H18N2O2S2/c1-3-12-4-6-14(7-5-12)20(17,18)15-9-8-13-10-19-11(2)16-13/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyVABBRVRRIFBDIE-UHFFFAOYSA-N
XLogP2.53
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 7119044) is 4-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCCc2csc(C)n2)cc1.
What is the InChIKey of 4-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is VABBRVRRIFBDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-3-12-4-6-14(7-5-12)20(17,18)15-9-8-13-10-19-11(2)16-13/h4-7,10,15H,3,8-9H2,1-2H3.
What are the key properties of 4-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
4-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 7119044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).