N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide

C11H17NO3S — CID 2836113

IUPACN-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCO)c(C)c1
InChIInChI=1S/C11H17NO3S/c1-8-6-9(2)11(10(3)7-8)16(14,15)12-4-5-13/h6-7,12-13H,4-5H2,1-3H3
InChIKeyPFNPCWWFJRZWRW-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.88
Rot. Bonds4

About N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide

N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 2836113) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID2836113
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCO)c(C)c1
InChIInChI=1S/C11H17NO3S/c1-8-6-9(2)11(10(3)7-8)16(14,15)12-4-5-13/h6-7,12-13H,4-5H2,1-3H3
InChIKeyPFNPCWWFJRZWRW-UHFFFAOYSA-N
XLogP0.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide (CID 2836113) is N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCCO)c(C)c1.
What is the InChIKey of N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is PFNPCWWFJRZWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-8-6-9(2)11(10(3)7-8)16(14,15)12-4-5-13/h6-7,12-13H,4-5H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide?
N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 2836113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).