N-(2-hydroxypropyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide

C13H22N2O3S — CID 62337347

IUPACN-(2-hydroxypropyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
SMILESCNC(C)c1ccc(S(=O)(=O)N(C)CC(C)O)cc1
InChIInChI=1S/C13H22N2O3S/c1-10(16)9-15(4)19(17,18)13-7-5-12(6-8-13)11(2)14-3/h5-8,10-11,14,16H,9H2,1-4H3
InChIKeyFDBWKMRFZZOTTH-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.97
Rot. Bonds6

About N-(2-hydroxypropyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide

N-(2-hydroxypropyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide (PubChem CID 62337347) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
PubChem CID62337347
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-(2-hydroxypropyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
SMILESCNC(C)c1ccc(S(=O)(=O)N(C)CC(C)O)cc1
InChIInChI=1S/C13H22N2O3S/c1-10(16)9-15(4)19(17,18)13-7-5-12(6-8-13)11(2)14-3/h5-8,10-11,14,16H,9H2,1-4H3
InChIKeyFDBWKMRFZZOTTH-UHFFFAOYSA-N
XLogP0.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxypropyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 55060830
N-[3-(dimethylamino)propyl]-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 63700082
N-(cyclopropylmethyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 54884270
N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 55060733
3-[[4-(1-hydroxyethyl)phenyl]sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106917610
4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
CID 43271840
4-(4-hydroxybut-1-ynyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62335906
4-[1-(4-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 107270144
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 28633736
N-(2-hydroxypropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55060783
4-[1-(ethylamino)ethyl]-N-methyl-N-propylbenzenesulfonamide
CID 43507083
6-(ethylamino)-N-(2-hydroxypropyl)-N-methylpyridine-3-sulfonamide
CID 62337809

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide (CID 62337347) is N-(2-hydroxypropyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide is CNC(C)c1ccc(S(=O)(=O)N(C)CC(C)O)cc1.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide?
The InChIKey is FDBWKMRFZZOTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-10(16)9-15(4)19(17,18)13-7-5-12(6-8-13)11(2)14-3/h5-8,10-11,14,16H,9H2,1-4H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide?
N-(2-hydroxypropyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 62337347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).