N-(2-amino-4-methoxyphenyl)-2-methylpropane-2-sulfonamide

C11H18N2O3S — CID 63688397

IUPACN-(2-amino-4-methoxyphenyl)-2-methylpropane-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)C(C)(C)C)c(N)c1
InChIInChI=1S/C11H18N2O3S/c1-11(2,3)17(14,15)13-10-6-5-8(16-4)7-9(10)12/h5-7,13H,12H2,1-4H3
InChIKeyWKHTYCSKVKHKMM-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.82
Rot. Bonds3

About N-(2-amino-4-methoxyphenyl)-2-methylpropane-2-sulfonamide

N-(2-amino-4-methoxyphenyl)-2-methylpropane-2-sulfonamide (PubChem CID 63688397) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-2-methylpropane-2-sulfonamide
PubChem CID63688397
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-(2-amino-4-methoxyphenyl)-2-methylpropane-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)C(C)(C)C)c(N)c1
InChIInChI=1S/C11H18N2O3S/c1-11(2,3)17(14,15)13-10-6-5-8(16-4)7-9(10)12/h5-7,13H,12H2,1-4H3
InChIKeyWKHTYCSKVKHKMM-UHFFFAOYSA-N
XLogP1.82
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
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(2-amino-4-methoxyphenyl)carbamic acid
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N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 43259140
methyl 2-[4-[(2-amino-4-methoxyphenyl)sulfamoyl]phenoxy]acetate
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-2-methylpropane-2-sulfonamide (CID 63688397) is N-(2-amino-4-methoxyphenyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-2-methylpropane-2-sulfonamide is COc1ccc(NS(=O)(=O)C(C)(C)C)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-2-methylpropane-2-sulfonamide?
The InChIKey is WKHTYCSKVKHKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-11(2,3)17(14,15)13-10-6-5-8(16-4)7-9(10)12/h5-7,13H,12H2,1-4H3.
What are the key properties of N-(2-amino-4-methoxyphenyl)-2-methylpropane-2-sulfonamide?
N-(2-amino-4-methoxyphenyl)-2-methylpropane-2-sulfonamide has a molecular weight of 258.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 63688397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).