4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide

C13H16N2O3S2 — CID 86839268

IUPAC4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cnc(C)s2)cc1
InChIInChI=1S/C13H16N2O3S2/c1-3-18-11-4-6-13(7-5-11)20(16,17)15-9-12-8-14-10(2)19-12/h4-8,15H,3,9H2,1-2H3
InChIKeyYBVKHYZHICJYJW-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.33
Rot. Bonds6

About 4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide

4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 86839268) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
PubChem CID86839268
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC Name4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cnc(C)s2)cc1
InChIInChI=1S/C13H16N2O3S2/c1-3-18-11-4-6-13(7-5-11)20(16,17)15-9-12-8-14-10(2)19-12/h4-8,15H,3,9H2,1-2H3
InChIKeyYBVKHYZHICJYJW-UHFFFAOYSA-N
XLogP2.33
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 86839315
3-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 61280992
N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide
CID 39439996
4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54895795
4-ethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122263634
N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanesulfonamide
CID 61384794
N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide
CID 110718117
5-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 106267722
2,4,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 154739438
4-ethoxy-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121123866
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692815

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (CID 86839268) is 4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2cnc(C)s2)cc1.
What is the InChIKey of 4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is YBVKHYZHICJYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-3-18-11-4-6-13(7-5-11)20(16,17)15-9-12-8-14-10(2)19-12/h4-8,15H,3,9H2,1-2H3.
What are the key properties of 4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 312.42 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 86839268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).