N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide

C13H19NO5S — CID 43577523

IUPACN-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCO)C2CC2)cc1OC
InChIInChI=1S/C13H19NO5S/c1-18-12-6-5-11(9-13(12)19-2)20(16,17)14(7-8-15)10-3-4-10/h5-6,9-10,15H,3-4,7-8H2,1-2H3
InChIKeyGLAQXSLZNANOPP-UHFFFAOYSA-N
MW301.36 g/mol
LogP0.85
Rot. Bonds7

About N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide

N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 43577523) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide
PubChem CID43577523
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC NameN-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCO)C2CC2)cc1OC
InChIInChI=1S/C13H19NO5S/c1-18-12-6-5-11(9-13(12)19-2)20(16,17)14(7-8-15)10-3-4-10/h5-6,9-10,15H,3-4,7-8H2,1-2H3
InChIKeyGLAQXSLZNANOPP-UHFFFAOYSA-N
XLogP0.85
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid
CID 60829007
4-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81440815
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 7414153
3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide
CID 102847558
3,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzenesulfonamide
CID 90607489
3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43263870
N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 54995323
N-cyclopropyl-N-(2-hydroxyethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 54995263
3-amino-N-cyclopentyl-4-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140381
3-amino-N-cyclopropyl-5-fluoro-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 114625181
5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxy-4-methylbenzenesulfonamide
CID 102859186
N-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide
CID 62151572

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide (CID 43577523) is N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N(CCO)C2CC2)cc1OC.
What is the InChIKey of N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is GLAQXSLZNANOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-18-12-6-5-11(9-13(12)19-2)20(16,17)14(7-8-15)10-3-4-10/h5-6,9-10,15H,3-4,7-8H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide?
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 301.36 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 43577523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).