3-[1-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]benzenesulfonamide

C15H16Cl2N2O4S2 — CID 56513916

IUPAC3-[1-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H16Cl2N2O4S2/c1-10(12-3-2-4-13(8-12)25(18,22)23)19-24(20,21)9-11-5-6-14(16)15(17)7-11/h2-8,10,19H,9H2,1H3,(H2,18,22,23)
InChIKeyWMKMJUMBNUDDKS-UHFFFAOYSA-N
MW423.34 g/mol
LogP2.82
Rot. Bonds6

About 3-[1-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]benzenesulfonamide

3-[1-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]benzenesulfonamide (PubChem CID 56513916) has the molecular formula C15H16Cl2N2O4S2 and a molecular weight of 423.34 g/mol. Its IUPAC name is 3-[1-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]benzenesulfonamide
PubChem CID56513916
Molecular FormulaC15H16Cl2N2O4S2
Molecular Weight423.34 g/mol
Exact Mass421.99
IUPAC Name3-[1-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H16Cl2N2O4S2/c1-10(12-3-2-4-13(8-12)25(18,22)23)19-24(20,21)9-11-5-6-14(16)15(17)7-11/h2-8,10,19H,9H2,1H3,(H2,18,22,23)
InChIKeyWMKMJUMBNUDDKS-UHFFFAOYSA-N
XLogP2.82
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]benzenesulfonamide (CID 56513916) is 3-[1-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]benzenesulfonamide is CC(NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]benzenesulfonamide?
The InChIKey is WMKMJUMBNUDDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O4S2/c1-10(12-3-2-4-13(8-12)25(18,22)23)19-24(20,21)9-11-5-6-14(16)15(17)7-11/h2-8,10,19H,9H2,1H3,(H2,18,22,23).
What are the key properties of 3-[1-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]benzenesulfonamide?
3-[1-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]benzenesulfonamide has a molecular weight of 423.34 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 56513916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).