N-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide

C11H17NO6S — CID 66175426

IUPACN-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCC(O)CO)c1
InChIInChI=1S/C11H17NO6S/c1-17-9-3-4-10(18-2)11(5-9)19(15,16)12-6-8(14)7-13/h3-5,8,12-14H,6-7H2,1-2H3
InChIKeyQYYDGRUVPSBOCU-UHFFFAOYSA-N
MW291.33 g/mol
LogP-0.66
Rot. Bonds7

About N-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide

N-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 66175426) has the molecular formula C11H17NO6S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide
PubChem CID66175426
Molecular FormulaC11H17NO6S
Molecular Weight291.33 g/mol
Exact Mass291.08
IUPAC NameN-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCC(O)CO)c1
InChIInChI=1S/C11H17NO6S/c1-17-9-3-4-10(18-2)11(5-9)19(15,16)12-6-8(14)7-13/h3-5,8,12-14H,6-7H2,1-2H3
InChIKeyQYYDGRUVPSBOCU-UHFFFAOYSA-N
XLogP-0.66
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66165859
N-(3-hydroxybutyl)-2,5-dimethoxybenzenesulfonamide
CID 64912067
N-(3-hydroxy-2,2-dimethylpropyl)-2,5-dimethoxybenzenesulfonamide
CID 3771736
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 27664736
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
N-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide
CID 19681648
N-(1-hydroxy-4-methylpentan-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 61246370
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 45003235
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
N-ethoxy-2,5-dimethoxybenzenesulfonamide
CID 60700414
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 90535201
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 112506788

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide (CID 66175426) is N-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCC(O)CO)c1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is QYYDGRUVPSBOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO6S/c1-17-9-3-4-10(18-2)11(5-9)19(15,16)12-6-8(14)7-13/h3-5,8,12-14H,6-7H2,1-2H3.
What are the key properties of N-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide?
N-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 291.33 g/mol, XLogP of -0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 66175426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).