4-ethoxy-N,2,5-trimethylbenzenesulfonamide

C11H17NO3S — CID 66485781

IUPAC4-ethoxy-N,2,5-trimethylbenzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)NC)cc1C
InChIInChI=1S/C11H17NO3S/c1-5-15-10-6-9(3)11(7-8(10)2)16(13,14)12-4/h6-7,12H,5H2,1-4H3
InChIKeyBKLKMGBHSUWAGB-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.61
Rot. Bonds4

About 4-ethoxy-N,2,5-trimethylbenzenesulfonamide

4-ethoxy-N,2,5-trimethylbenzenesulfonamide (PubChem CID 66485781) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-ethoxy-N,2,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N,2,5-trimethylbenzenesulfonamide
PubChem CID66485781
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name4-ethoxy-N,2,5-trimethylbenzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)NC)cc1C
InChIInChI=1S/C11H17NO3S/c1-5-15-10-6-9(3)11(7-8(10)2)16(13,14)12-4/h6-7,12H,5H2,1-4H3
InChIKeyBKLKMGBHSUWAGB-UHFFFAOYSA-N
XLogP1.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-2,5-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 110756905
4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 6473677
N-(5-chloro-2-pyridinyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 653931
N-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 1256461
4-ethoxy-2,5-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 110720166
2-methoxy-N,4,5-trimethylbenzenesulfonamide
CID 27243257
4-ethoxy-2,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110737152
N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 110415785
4-ethoxy-2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712524
5-ethoxy-N-(3-hydroxypropyl)-2,4-dimethylbenzenesulfonamide
CID 50876879
4-ethoxy-N-(1-hydroxy-3-phenylpropan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 110673589
4-ethoxy-2,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110415643

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N,2,5-trimethylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N,2,5-trimethylbenzenesulfonamide (CID 66485781) is 4-ethoxy-N,2,5-trimethylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N,2,5-trimethylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N,2,5-trimethylbenzenesulfonamide is CCOc1cc(C)c(S(=O)(=O)NC)cc1C.
What is the InChIKey of 4-ethoxy-N,2,5-trimethylbenzenesulfonamide?
The InChIKey is BKLKMGBHSUWAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-5-15-10-6-9(3)11(7-8(10)2)16(13,14)12-4/h6-7,12H,5H2,1-4H3.
What are the key properties of 4-ethoxy-N,2,5-trimethylbenzenesulfonamide?
4-ethoxy-N,2,5-trimethylbenzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N,2,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 66485781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).