2-[2-(dimethylamino)ethyl]benzenesulfonamide

C10H16N2O2S — CID 69371931

IUPAC2-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)CCc1ccccc1S(N)(=O)=O
InChIInChI=1S/C10H16N2O2S/c1-12(2)8-7-9-5-3-4-6-10(9)15(11,13)14/h3-6H,7-8H2,1-2H3,(H2,11,13,14)
InChIKeyUKTRVUPVCQGAJZ-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.44
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]benzenesulfonamide

2-[2-(dimethylamino)ethyl]benzenesulfonamide (PubChem CID 69371931) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]benzenesulfonamide
PubChem CID69371931
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)CCc1ccccc1S(N)(=O)=O
InChIInChI=1S/C10H16N2O2S/c1-12(2)8-7-9-5-3-4-6-10(9)15(11,13)14/h3-6H,7-8H2,1-2H3,(H2,11,13,14)
InChIKeyUKTRVUPVCQGAJZ-UHFFFAOYSA-N
XLogP0.44
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-nonylbenzenesulfonamide
CID 70447042
3-(2-sulfamoylphenyl)propane-1-sulfonic acid
CID 173385405
2-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 142811447
2-pent-4-enylbenzenesulfonamide
CID 153312111
2-[2-(dimethylamino)ethyl]benzenesulfinate
CID 70894494
2-(2-hydroxypentyl)benzenesulfonamide
CID 63201594
2-benzylbenzenesulfonamide;methane
CID 175312349
2-(2-amino-3-methylbutyl)benzenesulfonamide
CID 63197534
2-(2-bromobutyl)benzenesulfonamide
CID 63203633
N-[2-(2-bromophenyl)ethyl]-N-methylpropan-2-amine
CID 117044248
2-[(9Z,12Z)-octadeca-9,12-dienyl]benzenesulfonamide
CID 175087049
N-(4-acetamidophenyl)-2-[methyl-[(2-sulfamoylphenyl)methyl]amino]acetamide
CID 166229297

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 2-[2-(dimethylamino)ethyl]benzenesulfonamide (CID 69371931) is 2-[2-(dimethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]benzenesulfonamide is CN(C)CCc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]benzenesulfonamide?
The InChIKey is UKTRVUPVCQGAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-12(2)8-7-9-5-3-4-6-10(9)15(11,13)14/h3-6H,7-8H2,1-2H3,(H2,11,13,14).
What are the key properties of 2-[2-(dimethylamino)ethyl]benzenesulfonamide?
2-[2-(dimethylamino)ethyl]benzenesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 69371931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).