3-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide

C14H23NO4S — CID 81068355

IUPAC3-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CCOC(C)C)cc1CO
InChIInChI=1S/C14H23NO4S/c1-11(2)19-8-7-15(4)20(17,18)14-6-5-12(3)13(9-14)10-16/h5-6,9,11,16H,7-8,10H2,1-4H3
InChIKeyDAGDJHUWPWADGF-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.53
Rot. Bonds7

About 3-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide

3-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide (PubChem CID 81068355) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
PubChem CID81068355
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name3-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CCOC(C)C)cc1CO
InChIInChI=1S/C14H23NO4S/c1-11(2)19-8-7-15(4)20(17,18)14-6-5-12(3)13(9-14)10-16/h5-6,9,11,16H,7-8,10H2,1-4H3
InChIKeyDAGDJHUWPWADGF-UHFFFAOYSA-N
XLogP1.53
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(hydroxymethyl)-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81068454
4-[methyl(2-propan-2-yloxyethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791714
N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 80708286
2-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 102750178
2-amino-N,3,6-trimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 103171665
3-(aminomethyl)-N-(2-ethoxyethyl)-N,4-dimethylbenzenesulfonamide
CID 81067596
3-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81057059
3-[methyl(2-propan-2-yloxyethyl)sulfamoyl]benzenecarbothioamide
CID 81056059
4-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81059115
N-(2-hydroxyethyl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
CID 54879645
4-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81053045
4-(2-aminoethoxy)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81064529

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The IUPAC name of 3-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide (CID 81068355) is 3-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 3-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CCOC(C)C)cc1CO.
What is the InChIKey of 3-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The InChIKey is DAGDJHUWPWADGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-11(2)19-8-7-15(4)20(17,18)14-6-5-12(3)13(9-14)10-16/h5-6,9,11,16H,7-8,10H2,1-4H3.
What are the key properties of 3-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
3-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 81068355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).