3-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide

C11H17NO3S — CID 134204060

IUPAC3-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(CC(C)(C)O)c1
InChIInChI=1S/C11H17NO3S/c1-11(2,13)8-9-5-4-6-10(7-9)16(14,15)12-3/h4-7,12-13H,8H2,1-3H3
InChIKeyNVPYJZXHBNFOST-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.91
Rot. Bonds4

About 3-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide

3-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide (PubChem CID 134204060) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
PubChem CID134204060
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name3-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(CC(C)(C)O)c1
InChIInChI=1S/C11H17NO3S/c1-11(2,13)8-9-5-4-6-10(7-9)16(14,15)12-3/h4-7,12-13H,8H2,1-3H3
InChIKeyNVPYJZXHBNFOST-UHFFFAOYSA-N
XLogP0.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-hydroxy-2-methylpropyl)phenyl]methanesulfonyl chloride
CID 117117239
3-(benzylamino)-N-methylbenzenesulfonamide
CID 43688532
2-methyl-1-[[3-(methylsulfamoyl)phenyl]methyl]guanidine
CID 110915238
3-hydroxy-N-methylbenzenesulfonamide
CID 20621554
N-methyl-3-(methylamino)benzenesulfonamide
CID 63089854
1-[3-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-2-ol
CID 117111965
N,3-dimethylbenzenesulfonamide;ethane
CID 143402177
3-[[[hydroxy(phenyl)methyl]-methylamino]methyl]-N-methylbenzenesulfonamide
CID 134482302
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-[[3-(methylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111609761
4,4-dimethyl-N-[3-(methylsulfamoyl)phenyl]-3-oxopentanamide
CID 88797658
2-methyl-1-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-[[3-(methylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111690261
1-tert-butylsulfonyl-3-(2,2-dimethylpropyl)benzene
CID 166779231

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide (CID 134204060) is 3-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(CC(C)(C)O)c1.
What is the InChIKey of 3-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide?
The InChIKey is NVPYJZXHBNFOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-11(2,13)8-9-5-4-6-10(7-9)16(14,15)12-3/h4-7,12-13H,8H2,1-3H3.
What are the key properties of 3-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide?
3-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 134204060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).