2,5-dichloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide

C16H18Cl2N2O2S — CID 16890420

IUPAC2,5-dichloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide
SMILESCN(C)c1ccc(CCNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H18Cl2N2O2S/c1-20(2)14-6-3-12(4-7-14)9-10-19-23(21,22)16-11-13(17)5-8-15(16)18/h3-8,11,19H,9-10H2,1-2H3
InChIKeyHHPBSCDNXMVALS-UHFFFAOYSA-N
MW373.31 g/mol
LogP3.58
Rot. Bonds6

About 2,5-dichloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide

2,5-dichloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide (PubChem CID 16890420) has the molecular formula C16H18Cl2N2O2S and a molecular weight of 373.31 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide
PubChem CID16890420
Molecular FormulaC16H18Cl2N2O2S
Molecular Weight373.31 g/mol
Exact Mass372.05
IUPAC Name2,5-dichloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide
SMILESCN(C)c1ccc(CCNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H18Cl2N2O2S/c1-20(2)14-6-3-12(4-7-14)9-10-19-23(21,22)16-11-13(17)5-8-15(16)18/h3-8,11,19H,9-10H2,1-2H3
InChIKeyHHPBSCDNXMVALS-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide (CID 16890420) is 2,5-dichloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide is CN(C)c1ccc(CCNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide?
The InChIKey is HHPBSCDNXMVALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2S/c1-20(2)14-6-3-12(4-7-14)9-10-19-23(21,22)16-11-13(17)5-8-15(16)18/h3-8,11,19H,9-10H2,1-2H3.
What are the key properties of 2,5-dichloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide?
2,5-dichloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide has a molecular weight of 373.31 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 16890420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).