N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide

C11H17NO3S — CID 62335007

IUPACN-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)CC(C)O)c1
InChIInChI=1S/C11H17NO3S/c1-9-5-4-6-11(7-9)16(14,15)12(3)8-10(2)13/h4-7,10,13H,8H2,1-3H3
InChIKeyRIGCALACCKANLE-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.00
Rot. Bonds4

About N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide

N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide (PubChem CID 62335007) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide
PubChem CID62335007
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)CC(C)O)c1
InChIInChI=1S/C11H17NO3S/c1-9-5-4-6-11(7-9)16(14,15)12(3)8-10(2)13/h4-7,10,13H,8H2,1-3H3
InChIKeyRIGCALACCKANLE-UHFFFAOYSA-N
XLogP1.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333565
methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]benzoate
CID 62334814
2-[methyl-(3-methylphenyl)sulfonylamino]propanoic acid
CID 62627691
N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide
CID 28707580
2-fluoro-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 118740633
N-(2-hydroxypropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55060783
2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 62333869
5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide
CID 62333140
N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 55060830
3-hydroxy-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 81259126
3-amino-4-bromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 115329228
N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 47103944

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide (CID 62335007) is N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide is Cc1cccc(S(=O)(=O)N(C)CC(C)O)c1.
What is the InChIKey of N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide?
The InChIKey is RIGCALACCKANLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-9-5-4-6-11(7-9)16(14,15)12(3)8-10(2)13/h4-7,10,13H,8H2,1-3H3.
What are the key properties of N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide?
N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 62335007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).