N-(2-hydroxyethyl)-2,5-dimethoxybenzenesulfonamide

C10H15NO5S — CID 2201328

IUPACN-(2-hydroxyethyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCO)c1
InChIInChI=1S/C10H15NO5S/c1-15-8-3-4-9(16-2)10(7-8)17(13,14)11-5-6-12/h3-4,7,11-12H,5-6H2,1-2H3
InChIKeyFGPOMPFTTKWUBL-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.03
Rot. Bonds6

About N-(2-hydroxyethyl)-2,5-dimethoxybenzenesulfonamide

N-(2-hydroxyethyl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 2201328) has the molecular formula C10H15NO5S and a molecular weight of 261.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2,5-dimethoxybenzenesulfonamide
PubChem CID2201328
Molecular FormulaC10H15NO5S
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC NameN-(2-hydroxyethyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCO)c1
InChIInChI=1S/C10H15NO5S/c1-15-8-3-4-9(16-2)10(7-8)17(13,14)11-5-6-12/h3-4,7,11-12H,5-6H2,1-2H3
InChIKeyFGPOMPFTTKWUBL-UHFFFAOYSA-N
XLogP-0.03
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-2,5-dimethoxybenzenesulfonamide (CID 2201328) is N-(2-hydroxyethyl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCCO)c1.
What is the InChIKey of N-(2-hydroxyethyl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is FGPOMPFTTKWUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S/c1-15-8-3-4-9(16-2)10(7-8)17(13,14)11-5-6-12/h3-4,7,11-12H,5-6H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-2,5-dimethoxybenzenesulfonamide?
N-(2-hydroxyethyl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 261.30 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 2201328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).