2-amino-N-(2,3-dihydroxy-2-methylpropyl)-6-methylbenzenesulfonamide

C11H18N2O4S — CID 66168995

IUPAC2-amino-N-(2,3-dihydroxy-2-methylpropyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NCC(C)(O)CO
InChIInChI=1S/C11H18N2O4S/c1-8-4-3-5-9(12)10(8)18(16,17)13-6-11(2,15)7-14/h3-5,13-15H,6-7,12H2,1-2H3
InChIKeyBZXKKCRBXQOSOF-UHFFFAOYSA-N
MW274.34 g/mol
LogP-0.40
Rot. Bonds5

About 2-amino-N-(2,3-dihydroxy-2-methylpropyl)-6-methylbenzenesulfonamide

2-amino-N-(2,3-dihydroxy-2-methylpropyl)-6-methylbenzenesulfonamide (PubChem CID 66168995) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-amino-N-(2,3-dihydroxy-2-methylpropyl)-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dihydroxy-2-methylpropyl)-6-methylbenzenesulfonamide
PubChem CID66168995
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name2-amino-N-(2,3-dihydroxy-2-methylpropyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NCC(C)(O)CO
InChIInChI=1S/C11H18N2O4S/c1-8-4-3-5-9(12)10(8)18(16,17)13-6-11(2,15)7-14/h3-5,13-15H,6-7,12H2,1-2H3
InChIKeyBZXKKCRBXQOSOF-UHFFFAOYSA-N
XLogP-0.40
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-6-methylbenzenesulfonamide
CID 64549084
2-amino-6-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 80526302
2-amino-6-methyl-N-propylbenzenesulfonamide
CID 43452324
2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide
CID 107843459
2-amino-6-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615118
2-amino-6-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61112321
5-amino-N-(2,3-dihydroxy-2-methylpropyl)-2-fluoro-4-methylbenzenesulfonamide
CID 66168567
2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylacetamide
CID 43452561
2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 43452325
2-amino-N-hexyl-6-methylbenzenesulfonamide
CID 61110838
2-amino-N-[(4-ethylphenyl)methyl]-6-methylbenzenesulfonamide
CID 106899187
3-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]-2-methylbenzoic acid
CID 66186486

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dihydroxy-2-methylpropyl)-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2,3-dihydroxy-2-methylpropyl)-6-methylbenzenesulfonamide (CID 66168995) is 2-amino-N-(2,3-dihydroxy-2-methylpropyl)-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2,3-dihydroxy-2-methylpropyl)-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2,3-dihydroxy-2-methylpropyl)-6-methylbenzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)NCC(C)(O)CO.
What is the InChIKey of 2-amino-N-(2,3-dihydroxy-2-methylpropyl)-6-methylbenzenesulfonamide?
The InChIKey is BZXKKCRBXQOSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-8-4-3-5-9(12)10(8)18(16,17)13-6-11(2,15)7-14/h3-5,13-15H,6-7,12H2,1-2H3.
What are the key properties of 2-amino-N-(2,3-dihydroxy-2-methylpropyl)-6-methylbenzenesulfonamide?
2-amino-N-(2,3-dihydroxy-2-methylpropyl)-6-methylbenzenesulfonamide has a molecular weight of 274.34 g/mol, XLogP of -0.40, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dihydroxy-2-methylpropyl)-6-methylbenzenesulfonamide is sourced from PubChem (CID 66168995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).