5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide

C12H20N2O4S — CID 79974809

IUPAC5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)NC(C)(C)CO
InChIInChI=1S/C12H20N2O4S/c1-8-5-10(18-4)11(6-9(8)13)19(16,17)14-12(2,3)7-15/h5-6,14-15H,7,13H2,1-4H3
InChIKeyUBWAOUUHQKSCGX-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.64
Rot. Bonds5

About 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide

5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide (PubChem CID 79974809) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide
PubChem CID79974809
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)NC(C)(C)CO
InChIInChI=1S/C12H20N2O4S/c1-8-5-10(18-4)11(6-9(8)13)19(16,17)14-12(2,3)7-15/h5-6,14-15H,7,13H2,1-4H3
InChIKeyUBWAOUUHQKSCGX-UHFFFAOYSA-N
XLogP0.64
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274875
5-amino-N-(2,2-dimethylpropyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79973629
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxybenzenesulfonamide
CID 81438341
5-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethoxybenzenesulfonamide
CID 106165551
methyl 3-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 107213748
5-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43498653
5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
CID 102694373
5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 79961695
5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide
CID 79974645
2-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 79961871
5-amino-N-(2-hydroxycyclohexyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79962251
N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-nitrobenzenesulfonamide
CID 43501815

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide (CID 79974809) is 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide is COc1cc(C)c(N)cc1S(=O)(=O)NC(C)(C)CO.
What is the InChIKey of 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide?
The InChIKey is UBWAOUUHQKSCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-8-5-10(18-4)11(6-9(8)13)19(16,17)14-12(2,3)7-15/h5-6,14-15H,7,13H2,1-4H3.
What are the key properties of 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide?
5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 79974809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).