N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzenesulfonamide

C13H20N2O4S — CID 65188507

IUPACN-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(CN)C2CC2)c(OC)c1
InChIInChI=1S/C13H20N2O4S/c1-18-10-5-6-13(12(7-10)19-2)20(16,17)15-11(8-14)9-3-4-9/h5-7,9,11,15H,3-4,8,14H2,1-2H3
InChIKeyQOJBSYFCCFDNON-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.72
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzenesulfonamide

N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzenesulfonamide (PubChem CID 65188507) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzenesulfonamide
PubChem CID65188507
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(CN)C2CC2)c(OC)c1
InChIInChI=1S/C13H20N2O4S/c1-18-10-5-6-13(12(7-10)19-2)20(16,17)15-11(8-14)9-3-4-9/h5-7,9,11,15H,3-4,8,14H2,1-2H3
InChIKeyQOJBSYFCCFDNON-UHFFFAOYSA-N
XLogP0.72
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 119986704
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119986703
N-(2-amino-1-cyclopropylethyl)-2,4,6-trimethoxybenzenesulfonamide
CID 120875335
N-(2-amino-1-cyclopropylethyl)-3,5-dimethoxybenzenesulfonamide;hydrochloride
CID 119987079
N-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide
CID 119983634
N-(2-amino-1-cyclopropylethyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119986612
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 119986669
N-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 106737938
N-(2-amino-1-cyclopropylethyl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride
CID 119986999
4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide
CID 61479238
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120711306
N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride
CID 119986951

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzenesulfonamide (CID 65188507) is N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC(CN)C2CC2)c(OC)c1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzenesulfonamide?
The InChIKey is QOJBSYFCCFDNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-18-10-5-6-13(12(7-10)19-2)20(16,17)15-11(8-14)9-3-4-9/h5-7,9,11,15H,3-4,8,14H2,1-2H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzenesulfonamide?
N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzenesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 65188507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).