N-[3-[2-(dimethylamino)ethyl]phenyl]benzenesulfonamide

C16H20N2O2S — CID 11849745

IUPACN-[3-[2-(dimethylamino)ethyl]phenyl]benzenesulfonamide
SMILESCN(C)CCc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H20N2O2S/c1-18(2)12-11-14-7-6-8-15(13-14)17-21(19,20)16-9-4-3-5-10-16/h3-10,13,17H,11-12H2,1-2H3
InChIKeyMOFALKNIGCDQQJ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.59
Rot. Bonds6

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

N-[3-[2-(dimethylamino)ethyl]phenyl]benzenesulfonamide (PubChem CID 11849745) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethyl]phenyl]benzenesulfonamide
PubChem CID11849745
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[3-[2-(dimethylamino)ethyl]phenyl]benzenesulfonamide
SMILESCN(C)CCc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H20N2O2S/c1-18(2)12-11-14-7-6-8-15(13-14)17-21(19,20)16-9-4-3-5-10-16/h3-10,13,17H,11-12H2,1-2H3
InChIKeyMOFALKNIGCDQQJ-UHFFFAOYSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethyl]phenyl]benzenesulfonamide (CID 11849745) is N-[3-[2-(dimethylamino)ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethyl]phenyl]benzenesulfonamide is CN(C)CCc1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[2-(dimethylamino)ethyl]phenyl]benzenesulfonamide?
The InChIKey is MOFALKNIGCDQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-18(2)12-11-14-7-6-8-15(13-14)17-21(19,20)16-9-4-3-5-10-16/h3-10,13,17H,11-12H2,1-2H3.
What are the key properties of N-[3-[2-(dimethylamino)ethyl]phenyl]benzenesulfonamide?
N-[3-[2-(dimethylamino)ethyl]phenyl]benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 11849745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).