5-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,2-dimethylbenzenesulfonamide

C14H24N2O3S — CID 81413513

IUPAC5-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,2-dimethylbenzenesulfonamide
SMILESCCC(C)(CO)CNc1ccc(C)c(S(=O)(=O)NC)c1
InChIInChI=1S/C14H24N2O3S/c1-5-14(3,10-17)9-16-12-7-6-11(2)13(8-12)20(18,19)15-4/h6-8,15-17H,5,9-10H2,1-4H3
InChIKeyAFLFEUDDXKEXAJ-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.72
Rot. Bonds7

About 5-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,2-dimethylbenzenesulfonamide

5-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,2-dimethylbenzenesulfonamide (PubChem CID 81413513) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 5-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,2-dimethylbenzenesulfonamide
PubChem CID81413513
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name5-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,2-dimethylbenzenesulfonamide
SMILESCCC(C)(CO)CNc1ccc(C)c(S(=O)(=O)NC)c1
InChIInChI=1S/C14H24N2O3S/c1-5-14(3,10-17)9-16-12-7-6-11(2)13(8-12)20(18,19)15-4/h6-8,15-17H,5,9-10H2,1-4H3
InChIKeyAFLFEUDDXKEXAJ-UHFFFAOYSA-N
XLogP1.72
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,2-dimethylbenzenesulfonamide
CID 81401246
(3R)-3-ethyl-3-methyl-5-[4-methyl-3-(methylsulfamoyl)anilino]-5-oxopentanoic acid
CID 8893593
5-[2-(tert-butylamino)ethylamino]-N,2-dimethylbenzenesulfonamide
CID 107445081
5-[(2-hydroxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 43717522
(2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide
CID 79024115
2-methyl-2-[(2-methyl-5-methylsulfonylanilino)methyl]butan-1-ol
CID 81412818
5-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519720
2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
CID 61265605
N,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide
CID 43717495
5-(chloromethylsulfonylamino)-N,2-dimethylbenzenesulfonamide
CID 63664896
N,2-dimethyl-5-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide
CID 66400218
4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 18190078

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,2-dimethylbenzenesulfonamide (CID 81413513) is 5-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,2-dimethylbenzenesulfonamide is CCC(C)(CO)CNc1ccc(C)c(S(=O)(=O)NC)c1.
What is the InChIKey of 5-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,2-dimethylbenzenesulfonamide?
The InChIKey is AFLFEUDDXKEXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-5-14(3,10-17)9-16-12-7-6-11(2)13(8-12)20(18,19)15-4/h6-8,15-17H,5,9-10H2,1-4H3.
What are the key properties of 5-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,2-dimethylbenzenesulfonamide?
5-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,2-dimethylbenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 81413513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).