N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide

C13H21NO3S — CID 55060830

IUPACN-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
SMILESCC(O)CN(C)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H21NO3S/c1-10(2)12-5-7-13(8-6-12)18(16,17)14(4)9-11(3)15/h5-8,10-11,15H,9H2,1-4H3
InChIKeyFIIGDSWQNUHSFE-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.81
Rot. Bonds5

About N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide

N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide (PubChem CID 55060830) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
PubChem CID55060830
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
SMILESCC(O)CN(C)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H21NO3S/c1-10(2)12-5-7-13(8-6-12)18(16,17)14(4)9-11(3)15/h5-8,10-11,15H,9H2,1-4H3
InChIKeyFIIGDSWQNUHSFE-UHFFFAOYSA-N
XLogP1.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 62337347
N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 55060733
tert-butyl N-[(2S)-1-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]carbamate
CID 110315317
4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
CID 43271840
4-(4-hydroxybut-1-ynyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62335906
4-acetyl-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 26034569
3-[[4-(1-hydroxyethyl)phenyl]sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106917610
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 109411520
N-(2-hydroxypropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55060783
4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 26027770
N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide
CID 62335007
3-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 20691478

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide (CID 55060830) is N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide is CC(O)CN(C)S(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide?
The InChIKey is FIIGDSWQNUHSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-10(2)12-5-7-13(8-6-12)18(16,17)14(4)9-11(3)15/h5-8,10-11,15H,9H2,1-4H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide?
N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 55060830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).