3-amino-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide

C12H20N2O4S — CID 106308661

IUPAC3-amino-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)NCCCOCCO
InChIInChI=1S/C12H20N2O4S/c1-10-11(13)4-2-5-12(10)19(16,17)14-6-3-8-18-9-7-15/h2,4-5,14-15H,3,6-9,13H2,1H3
InChIKeyKNDFADMZIJPFFT-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.25
Rot. Bonds8

About 3-amino-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide

3-amino-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide (PubChem CID 106308661) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-amino-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide
PubChem CID106308661
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name3-amino-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)NCCCOCCO
InChIInChI=1S/C12H20N2O4S/c1-10-11(13)4-2-5-12(10)19(16,17)14-6-3-8-18-9-7-15/h2,4-5,14-15H,3,6-9,13H2,1H3
InChIKeyKNDFADMZIJPFFT-UHFFFAOYSA-N
XLogP0.25
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843457
3-amino-N-(5-hydroxypentyl)-2-methylbenzenesulfonamide
CID 107316310
3-amino-2-methyl-N-(4-methylpentyl)benzenesulfonamide
CID 61126637
3-amino-N-[3-(2-hydroxyethoxy)propyl]-4,5-dimethylbenzenesulfonamide
CID 106308624
3-[(3-amino-2-methylphenyl)sulfonylamino]propanamide
CID 43553098
5-amino-4-chloro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide
CID 106308667
2-amino-N-[3-(2-hydroxyethoxy)propyl]-3,6-dimethylbenzenesulfonamide
CID 106308656
2-amino-5-bromo-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
CID 106308704
2-amino-N-(3-hexoxypropyl)benzenesulfonamide
CID 58720589
3-amino-2-methyl-N-(7-methyloctyl)benzenesulfonamide
CID 107814631
2-methyl-3-(3-propoxypropylsulfamoyl)benzoic acid
CID 82941000
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzenesulfonamide
CID 106140106

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide (CID 106308661) is 3-amino-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide is Cc1c(N)cccc1S(=O)(=O)NCCCOCCO.
What is the InChIKey of 3-amino-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide?
The InChIKey is KNDFADMZIJPFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-10-11(13)4-2-5-12(10)19(16,17)14-6-3-8-18-9-7-15/h2,4-5,14-15H,3,6-9,13H2,1H3.
What are the key properties of 3-amino-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide?
3-amino-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.25, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 106308661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).