3-(2,4-dichlorophenyl)sulfanyl-4-(propylsulfonylamino)benzenesulfonamide

C15H16Cl2N2O4S3 — CID 23221654

IUPAC3-(2,4-dichlorophenyl)sulfanyl-4-(propylsulfonylamino)benzenesulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1Sc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2O4S3/c1-2-7-25(20,21)19-13-5-4-11(26(18,22)23)9-15(13)24-14-6-3-10(16)8-12(14)17/h3-6,8-9,19H,2,7H2,1H3,(H2,18,22,23)
InChIKeyJYILXTMBCAJJIO-UHFFFAOYSA-N
MW455.41 g/mol
LogP3.94
Rot. Bonds7

About 3-(2,4-dichlorophenyl)sulfanyl-4-(propylsulfonylamino)benzenesulfonamide

3-(2,4-dichlorophenyl)sulfanyl-4-(propylsulfonylamino)benzenesulfonamide (PubChem CID 23221654) has the molecular formula C15H16Cl2N2O4S3 and a molecular weight of 455.41 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)sulfanyl-4-(propylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)sulfanyl-4-(propylsulfonylamino)benzenesulfonamide
PubChem CID23221654
Molecular FormulaC15H16Cl2N2O4S3
Molecular Weight455.41 g/mol
Exact Mass453.96
IUPAC Name3-(2,4-dichlorophenyl)sulfanyl-4-(propylsulfonylamino)benzenesulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1Sc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2O4S3/c1-2-7-25(20,21)19-13-5-4-11(26(18,22)23)9-15(13)24-14-6-3-10(16)8-12(14)17/h3-6,8-9,19H,2,7H2,1H3,(H2,18,22,23)
InChIKeyJYILXTMBCAJJIO-UHFFFAOYSA-N
XLogP3.94
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.41
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)sulfanyl-4-(propylsulfonylamino)benzenesulfonamide?
The IUPAC name of 3-(2,4-dichlorophenyl)sulfanyl-4-(propylsulfonylamino)benzenesulfonamide (CID 23221654) is 3-(2,4-dichlorophenyl)sulfanyl-4-(propylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)sulfanyl-4-(propylsulfonylamino)benzenesulfonamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)sulfanyl-4-(propylsulfonylamino)benzenesulfonamide is CCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1Sc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)sulfanyl-4-(propylsulfonylamino)benzenesulfonamide?
The InChIKey is JYILXTMBCAJJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O4S3/c1-2-7-25(20,21)19-13-5-4-11(26(18,22)23)9-15(13)24-14-6-3-10(16)8-12(14)17/h3-6,8-9,19H,2,7H2,1H3,(H2,18,22,23).
What are the key properties of 3-(2,4-dichlorophenyl)sulfanyl-4-(propylsulfonylamino)benzenesulfonamide?
3-(2,4-dichlorophenyl)sulfanyl-4-(propylsulfonylamino)benzenesulfonamide has a molecular weight of 455.41 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)sulfanyl-4-(propylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 23221654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).