2-ethoxy-N,N,4-trimethylbenzenesulfonamide

C11H17NO3S — CID 91758576

IUPAC2-ethoxy-N,N,4-trimethylbenzenesulfonamide
SMILESCCOc1cc(C)ccc1S(=O)(=O)N(C)C
InChIInChI=1S/C11H17NO3S/c1-5-15-10-8-9(2)6-7-11(10)16(13,14)12(3)4/h6-8H,5H2,1-4H3
InChIKeyKPMXSOCOFWPGRE-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.64
Rot. Bonds4

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

2-ethoxy-N,N,4-trimethylbenzenesulfonamide (PubChem CID 91758576) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-ethoxy-N,N,4-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N,N,4-trimethylbenzenesulfonamide
PubChem CID91758576
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-ethoxy-N,N,4-trimethylbenzenesulfonamide
SMILESCCOc1cc(C)ccc1S(=O)(=O)N(C)C
InChIInChI=1S/C11H17NO3S/c1-5-15-10-8-9(2)6-7-11(10)16(13,14)12(3)4/h6-8H,5H2,1-4H3
InChIKeyKPMXSOCOFWPGRE-UHFFFAOYSA-N
XLogP1.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N,N,5-trimethylthiophene-2-sulfonamide
CID 54477607
2-[2-(dimethylamino)ethoxy]-4-methylbenzenesulfonic acid
CID 87290604
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)acetamide
CID 120666806
2-(2-bromo-4-methylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 55773525
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,5-dimethylbenzamide
CID 26421618
ethyl 2-(2-methoxyethoxy)-4-methylbenzenesulfonate
CID 87667048
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 9470177
2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 15943881
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
ethyl 4-chloro-5-(dimethylsulfamoyl)-2-ethoxybenzoate
CID 68872377
1-bromo-2-ethoxy-4-methylbenzene
CID 58741892
4-ethoxy-N,N-dimethyl-2-nitrobenzenesulfonamide
CID 117059190

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N,N,4-trimethylbenzenesulfonamide?
The IUPAC name of 2-ethoxy-N,N,4-trimethylbenzenesulfonamide (CID 91758576) is 2-ethoxy-N,N,4-trimethylbenzenesulfonamide.
What is the SMILES notation for 2-ethoxy-N,N,4-trimethylbenzenesulfonamide?
The canonical SMILES for 2-ethoxy-N,N,4-trimethylbenzenesulfonamide is CCOc1cc(C)ccc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-ethoxy-N,N,4-trimethylbenzenesulfonamide?
The InChIKey is KPMXSOCOFWPGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-5-15-10-8-9(2)6-7-11(10)16(13,14)12(3)4/h6-8H,5H2,1-4H3.
What are the key properties of 2-ethoxy-N,N,4-trimethylbenzenesulfonamide?
2-ethoxy-N,N,4-trimethylbenzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N,N,4-trimethylbenzenesulfonamide is sourced from PubChem (CID 91758576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).