N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylbenzenesulfonamide

C12H19NO5S — CID 81258385

IUPACN-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylbenzenesulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C12H19NO5S/c1-13(8-10(14)9-17-2)19(15,16)12-6-4-5-11(7-12)18-3/h4-7,10,14H,8-9H2,1-3H3
InChIKeyNHTJUQLFNMIZLR-UHFFFAOYSA-N
MW289.35 g/mol
LogP0.32
Rot. Bonds7

About N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylbenzenesulfonamide

N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylbenzenesulfonamide (PubChem CID 81258385) has the molecular formula C12H19NO5S and a molecular weight of 289.35 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylbenzenesulfonamide
PubChem CID81258385
Molecular FormulaC12H19NO5S
Molecular Weight289.35 g/mol
Exact Mass289.10
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylbenzenesulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C12H19NO5S/c1-13(8-10(14)9-17-2)19(15,16)12-6-4-5-11(7-12)18-3/h4-7,10,14H,8-9H2,1-3H3
InChIKeyNHTJUQLFNMIZLR-UHFFFAOYSA-N
XLogP0.32
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 54941944
4-bromo-3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 103880498
N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-N-methylsulfamate
CID 3706704
N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-N-methyl-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 125025761
N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrrole-3-sulfonamide
CID 54999137
1-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]-3-methoxypropan-2-ol
CID 79006411
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 107483531
6-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 62153514
4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
CID 110291005
3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-pyrazol-1-ylbenzenesulfonamide
CID 71907947
2,4-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 54999282
3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 81265085

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylbenzenesulfonamide (CID 81258385) is N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylbenzenesulfonamide is COCC(O)CN(C)S(=O)(=O)c1cccc(OC)c1.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylbenzenesulfonamide?
The InChIKey is NHTJUQLFNMIZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5S/c1-13(8-10(14)9-17-2)19(15,16)12-6-4-5-11(7-12)18-3/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylbenzenesulfonamide?
N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylbenzenesulfonamide has a molecular weight of 289.35 g/mol, XLogP of 0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 81258385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).