N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide

C14H23NO3S — CID 55060733

IUPACN-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)N(C)CC(C)O)cc1
InChIInChI=1S/C14H23NO3S/c1-11(2)9-13-5-7-14(8-6-13)19(17,18)15(4)10-12(3)16/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyPHFDEDAUIOLWIE-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.89
Rot. Bonds6

About N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide

N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 55060733) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide
PubChem CID55060733
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)N(C)CC(C)O)cc1
InChIInChI=1S/C14H23NO3S/c1-11(2)9-13-5-7-14(8-6-13)19(17,18)15(4)10-12(3)16/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyPHFDEDAUIOLWIE-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide
CID 14574391
N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 55060830
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272087
N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 97083157
N-(2-hydroxypropyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 62337347
4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
CID 43271840
3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 55061064
3-amino-4-bromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 115329228
4-(2-hydroxybutyl)-N,N-dimethylbenzenesulfonamide
CID 55163578
N-cyclopentyl-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 112820136
N-(2,3-dihydroxypropyl)-4-ethyl-N-methylbenzenesulfonamide
CID 4985580
N-methyl-4-(2-methylpropyl)-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64519189

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide (CID 55060733) is N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)N(C)CC(C)O)cc1.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is PHFDEDAUIOLWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-11(2)9-13-5-7-14(8-6-13)19(17,18)15(4)10-12(3)16/h5-8,11-12,16H,9-10H2,1-4H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide?
N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.89, 6 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-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 55060733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).