2,5-dichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide

C14H12Cl3NO2S — CID 1220824

IUPAC2,5-dichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cccc(Cl)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12Cl3NO2S/c15-11-3-1-2-10(8-11)6-7-18-21(19,20)14-9-12(16)4-5-13(14)17/h1-5,8-9,18H,6-7H2
InChIKeyVRUUFCVHVHTRHZ-UHFFFAOYSA-N
MW364.68 g/mol
LogP4.17
Rot. Bonds5

About 2,5-dichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide

2,5-dichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide (PubChem CID 1220824) has the molecular formula C14H12Cl3NO2S and a molecular weight of 364.68 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
PubChem CID1220824
Molecular FormulaC14H12Cl3NO2S
Molecular Weight364.68 g/mol
Exact Mass362.97
IUPAC Name2,5-dichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cccc(Cl)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12Cl3NO2S/c15-11-3-1-2-10(8-11)6-7-18-21(19,20)14-9-12(16)4-5-13(14)17/h1-5,8-9,18H,6-7H2
InChIKeyVRUUFCVHVHTRHZ-UHFFFAOYSA-N
XLogP4.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.68
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide (CID 1220824) is 2,5-dichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1cccc(Cl)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide?
The InChIKey is VRUUFCVHVHTRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO2S/c15-11-3-1-2-10(8-11)6-7-18-21(19,20)14-9-12(16)4-5-13(14)17/h1-5,8-9,18H,6-7H2.
What are the key properties of 2,5-dichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide?
2,5-dichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide has a molecular weight of 364.68 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 1220824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).