2,6-dichloro-N,N-diphenylbenzenesulfonamide

C18H13Cl2NO2S — CID 3332865

IUPAC2,6-dichloro-N,N-diphenylbenzenesulfonamide
SMILESO=S(=O)(c1c(Cl)cccc1Cl)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H13Cl2NO2S/c19-16-12-7-13-17(20)18(16)24(22,23)21(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H
InChIKeyQNDSHIIIVCNAEN-UHFFFAOYSA-N
MW378.28 g/mol
LogP5.52
Rot. Bonds4

About 2,6-dichloro-N,N-diphenylbenzenesulfonamide

2,6-dichloro-N,N-diphenylbenzenesulfonamide (PubChem CID 3332865) has the molecular formula C18H13Cl2NO2S and a molecular weight of 378.28 g/mol. Its IUPAC name is 2,6-dichloro-N,N-diphenylbenzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N,N-diphenylbenzenesulfonamide
PubChem CID3332865
Molecular FormulaC18H13Cl2NO2S
Molecular Weight378.28 g/mol
Exact Mass377.00
IUPAC Name2,6-dichloro-N,N-diphenylbenzenesulfonamide
SMILESO=S(=O)(c1c(Cl)cccc1Cl)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H13Cl2NO2S/c19-16-12-7-13-17(20)18(16)24(22,23)21(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H
InChIKeyQNDSHIIIVCNAEN-UHFFFAOYSA-N
XLogP5.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.28
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N,N-diphenylbenzenesulfonamide?
The IUPAC name of 2,6-dichloro-N,N-diphenylbenzenesulfonamide (CID 3332865) is 2,6-dichloro-N,N-diphenylbenzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N,N-diphenylbenzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N,N-diphenylbenzenesulfonamide is O=S(=O)(c1c(Cl)cccc1Cl)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,6-dichloro-N,N-diphenylbenzenesulfonamide?
The InChIKey is QNDSHIIIVCNAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO2S/c19-16-12-7-13-17(20)18(16)24(22,23)21(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H.
What are the key properties of 2,6-dichloro-N,N-diphenylbenzenesulfonamide?
2,6-dichloro-N,N-diphenylbenzenesulfonamide has a molecular weight of 378.28 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N,N-diphenylbenzenesulfonamide is sourced from PubChem (CID 3332865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).