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

C14H14Cl2N2O2S — CID 788793

IUPAC2,5-dichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C14H14Cl2N2O2S/c1-18(2)12-6-4-11(5-7-12)17-21(19,20)14-9-10(15)3-8-13(14)16/h3-9,17H,1-2H3
InChIKeyUSYVCQBBROOYTE-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.86
Rot. Bonds4

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

2,5-dichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide (PubChem CID 788793) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
PubChem CID788793
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name2,5-dichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C14H14Cl2N2O2S/c1-18(2)12-6-4-11(5-7-12)17-21(19,20)14-9-10(15)3-8-13(14)16/h3-9,17H,1-2H3
InChIKeyUSYVCQBBROOYTE-UHFFFAOYSA-N
XLogP3.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide (CID 788793) is 2,5-dichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide is CN(C)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide?
The InChIKey is USYVCQBBROOYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-18(2)12-6-4-11(5-7-12)17-21(19,20)14-9-10(15)3-8-13(14)16/h3-9,17H,1-2H3.
What are the key properties of 2,5-dichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide?
2,5-dichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide has a molecular weight of 345.25 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 788793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).