N-(2-amino-4,5-dimethoxyphenyl)propane-2-sulfonamide

C11H18N2O4S — CID 60859772

IUPACN-(2-amino-4,5-dimethoxyphenyl)propane-2-sulfonamide
SMILESCOc1cc(N)c(NS(=O)(=O)C(C)C)cc1OC
InChIInChI=1S/C11H18N2O4S/c1-7(2)18(14,15)13-9-6-11(17-4)10(16-3)5-8(9)12/h5-7,13H,12H2,1-4H3
InChIKeyZONHRFKSMPJEKY-UHFFFAOYSA-N
MW274.34 g/mol
LogP1.44
Rot. Bonds5

About N-(2-amino-4,5-dimethoxyphenyl)propane-2-sulfonamide

N-(2-amino-4,5-dimethoxyphenyl)propane-2-sulfonamide (PubChem CID 60859772) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethoxyphenyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethoxyphenyl)propane-2-sulfonamide
PubChem CID60859772
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC NameN-(2-amino-4,5-dimethoxyphenyl)propane-2-sulfonamide
SMILESCOc1cc(N)c(NS(=O)(=O)C(C)C)cc1OC
InChIInChI=1S/C11H18N2O4S/c1-7(2)18(14,15)13-9-6-11(17-4)10(16-3)5-8(9)12/h5-7,13H,12H2,1-4H3
InChIKeyZONHRFKSMPJEKY-UHFFFAOYSA-N
XLogP1.44
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-methoxyphenyl)propane-2-sulfonamide
CID 60859602
N-(2-amino-4,5-dimethoxyphenyl)-1-methylsulfonylmethanesulfonamide
CID 82838671
N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide
CID 43550840
3-methoxy-4-(propan-2-ylsulfonylamino)benzenecarbothioamide
CID 104849487
5-chloro-2-methoxy-4-(propan-2-ylsulfonylamino)benzoic acid
CID 60860077
N-(4-amino-2,5-dimethoxyphenyl)methanesulfonamide
CID 57266401
N-(2-amino-4,5-dimethoxyphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520845
2-(2-amino-4,5-dimethoxyanilino)propanamide
CID 83001358
N-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998731
methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate
CID 43551388
N-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide
CID 43549148
4,5-dimethoxy-2-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,2-diamine
CID 83008502

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)propane-2-sulfonamide?
The IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)propane-2-sulfonamide (CID 60859772) is N-(2-amino-4,5-dimethoxyphenyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-amino-4,5-dimethoxyphenyl)propane-2-sulfonamide?
The canonical SMILES for N-(2-amino-4,5-dimethoxyphenyl)propane-2-sulfonamide is COc1cc(N)c(NS(=O)(=O)C(C)C)cc1OC.
What is the InChIKey of N-(2-amino-4,5-dimethoxyphenyl)propane-2-sulfonamide?
The InChIKey is ZONHRFKSMPJEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-7(2)18(14,15)13-9-6-11(17-4)10(16-3)5-8(9)12/h5-7,13H,12H2,1-4H3.
What are the key properties of N-(2-amino-4,5-dimethoxyphenyl)propane-2-sulfonamide?
N-(2-amino-4,5-dimethoxyphenyl)propane-2-sulfonamide has a molecular weight of 274.34 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dimethoxyphenyl)propane-2-sulfonamide is sourced from PubChem (CID 60859772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).