4-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide

C10H15ClN2O2S — CID 965272

IUPAC4-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H15ClN2O2S/c1-13(2)8-7-12-16(14,15)10-5-3-9(11)4-6-10/h3-6,12H,7-8H2,1-2H3
InChIKeyZEIRXYXCGPDADI-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.18
Rot. Bonds5

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

4-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide (PubChem CID 965272) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is 4-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide
PubChem CID965272
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name4-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H15ClN2O2S/c1-13(2)8-7-12-16(14,15)10-5-3-9(11)4-6-10/h3-6,12H,7-8H2,1-2H3
InChIKeyZEIRXYXCGPDADI-UHFFFAOYSA-N
XLogP1.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide (CID 965272) is 4-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide is CN(C)CCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The InChIKey is ZEIRXYXCGPDADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-13(2)8-7-12-16(14,15)10-5-3-9(11)4-6-10/h3-6,12H,7-8H2,1-2H3.
What are the key properties of 4-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
4-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide has a molecular weight of 262.76 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 965272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).