5-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-2-methylbenzamide

C13H20N2O4S — CID 115902665

IUPAC5-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N(C)C(C)(C)CO)cc1C(N)=O
InChIInChI=1S/C13H20N2O4S/c1-9-5-6-10(7-11(9)12(14)17)20(18,19)15(4)13(2,3)8-16/h5-7,16H,8H2,1-4H3,(H2,14,17)
InChIKeyMGEZVFINJWBBTA-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.49
Rot. Bonds5

About 5-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-2-methylbenzamide

5-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-2-methylbenzamide (PubChem CID 115902665) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-2-methylbenzamide
PubChem CID115902665
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name5-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N(C)C(C)(C)CO)cc1C(N)=O
InChIInChI=1S/C13H20N2O4S/c1-9-5-6-10(7-11(9)12(14)17)20(18,19)15(4)13(2,3)8-16/h5-7,16H,8H2,1-4H3,(H2,14,17)
InChIKeyMGEZVFINJWBBTA-UHFFFAOYSA-N
XLogP0.49
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide
CID 62333140
3-N-(1-hydroxy-2-methylpropan-2-yl)-3-N-methylbenzene-1,3-disulfonamide
CID 115902668
N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 115902733
5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzamide
CID 34040667
N-(1-amino-2-methylpropan-2-yl)-N,3,4-trimethylbenzenesulfonamide
CID 62008236
5-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methylbenzamide
CID 34035463
5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-methylbenzamide
CID 104858816
2-methyl-5-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]benzamide
CID 64517256
2-[(3-carbamoyl-4-methylphenyl)sulfonyl-prop-2-enylamino]acetic acid
CID 79264768
methyl 3-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-4-methylbenzoate
CID 115902782
3-cyano-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
CID 115902750
2-methyl-5-(4-methylsulfonylphenyl)benzamide
CID 142718216

Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-2-methylbenzamide?
The IUPAC name of 5-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-2-methylbenzamide (CID 115902665) is 5-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-2-methylbenzamide.
What is the SMILES notation for 5-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-2-methylbenzamide?
The canonical SMILES for 5-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)N(C)C(C)(C)CO)cc1C(N)=O.
What is the InChIKey of 5-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-2-methylbenzamide?
The InChIKey is MGEZVFINJWBBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-9-5-6-10(7-11(9)12(14)17)20(18,19)15(4)13(2,3)8-16/h5-7,16H,8H2,1-4H3,(H2,14,17).
What are the key properties of 5-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-2-methylbenzamide?
5-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-2-methylbenzamide has a molecular weight of 300.38 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 115902665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).