4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide

C19H17Cl2NO4S3 — CID 2820272

IUPAC4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(CCN(Cc1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H17Cl2NO4S3/c20-15-3-7-18(8-4-15)28(23,24)13-11-22(14-17-2-1-12-27-17)29(25,26)19-9-5-16(21)6-10-19/h1-10,12H,11,13-14H2
InChIKeyZUNASPYXMJBAJE-UHFFFAOYSA-N
MW490.46 g/mol
LogP4.72
Rot. Bonds8

About 4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 2820272) has the molecular formula C19H17Cl2NO4S3 and a molecular weight of 490.46 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID2820272
Molecular FormulaC19H17Cl2NO4S3
Molecular Weight490.46 g/mol
Exact Mass488.97
IUPAC Name4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(CCN(Cc1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H17Cl2NO4S3/c20-15-3-7-18(8-4-15)28(23,24)13-11-22(14-17-2-1-12-27-17)29(25,26)19-9-5-16(21)6-10-19/h1-10,12H,11,13-14H2
InChIKeyZUNASPYXMJBAJE-UHFFFAOYSA-N
XLogP4.72
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.46
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 2820272) is 4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide is O=S(=O)(CCN(Cc1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is ZUNASPYXMJBAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO4S3/c20-15-3-7-18(8-4-15)28(23,24)13-11-22(14-17-2-1-12-27-17)29(25,26)19-9-5-16(21)6-10-19/h1-10,12H,11,13-14H2.
What are the key properties of 4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 490.46 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2820272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).