N-[2-(dimethylamino)ethyl]-4-(3-hydroxypropyl)benzenesulfonamide

C13H22N2O3S — CID 39387794

IUPACN-[2-(dimethylamino)ethyl]-4-(3-hydroxypropyl)benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(CCCO)cc1
InChIInChI=1S/C13H22N2O3S/c1-15(2)10-9-14-19(17,18)13-7-5-12(6-8-13)4-3-11-16/h5-8,14,16H,3-4,9-11H2,1-2H3
InChIKeyVKOYCJGIULHKCS-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.45
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-4-(3-hydroxypropyl)benzenesulfonamide

N-[2-(dimethylamino)ethyl]-4-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 39387794) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(3-hydroxypropyl)benzenesulfonamide
PubChem CID39387794
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(3-hydroxypropyl)benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(CCCO)cc1
InChIInChI=1S/C13H22N2O3S/c1-15(2)10-9-14-19(17,18)13-7-5-12(6-8-13)4-3-11-16/h5-8,14,16H,3-4,9-11H2,1-2H3
InChIKeyVKOYCJGIULHKCS-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 19681719
4-[2-(cyclopropylamino)ethyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 106032282
N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
CID 143460096
N-benzyl-4-(3-hydroxypropyl)benzenesulfonamide
CID 39436087
N-tert-butyl-4-(3-hydroxypropyl)benzenesulfonamide
CID 39371133
N-[2-(dimethylamino)ethyl]-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112991485
4-(aminomethyl)-N-(3-hydroxypropyl)benzenesulfonamide
CID 102537257
N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzenesulfonamide
CID 110454140
N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966
4-butanoyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 82164625
N-[3-[4-(dimethylamino)phenyl]propyl]-4-ethylbenzenesulfonamide
CID 16890812
N-[2-(4-fluorophenyl)ethyl]-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113055789

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(3-hydroxypropyl)benzenesulfonamide (CID 39387794) is N-[2-(dimethylamino)ethyl]-4-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(3-hydroxypropyl)benzenesulfonamide is CN(C)CCNS(=O)(=O)c1ccc(CCCO)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is VKOYCJGIULHKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-15(2)10-9-14-19(17,18)13-7-5-12(6-8-13)4-3-11-16/h5-8,14,16H,3-4,9-11H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(3-hydroxypropyl)benzenesulfonamide?
N-[2-(dimethylamino)ethyl]-4-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 39387794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).