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

C20H17Cl2NO3S2 — CID 2820287

IUPAC4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1ccc(Cl)cc1)N(CCS(=O)(=O)c1ccc(Cl)cc1)Cc1cccs1
InChIInChI=1S/C20H17Cl2NO3S2/c21-16-5-3-15(4-6-16)20(24)23(14-18-2-1-12-27-18)11-13-28(25,26)19-9-7-17(22)8-10-19/h1-10,12H,11,13-14H2
InChIKeyVPNONWFDSHPTCW-UHFFFAOYSA-N
MW454.40 g/mol
LogP5.17
Rot. Bonds7

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

4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 2820287) has the molecular formula C20H17Cl2NO3S2 and a molecular weight of 454.40 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID2820287
Molecular FormulaC20H17Cl2NO3S2
Molecular Weight454.40 g/mol
Exact Mass453.00
IUPAC Name4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1ccc(Cl)cc1)N(CCS(=O)(=O)c1ccc(Cl)cc1)Cc1cccs1
InChIInChI=1S/C20H17Cl2NO3S2/c21-16-5-3-15(4-6-16)20(24)23(14-18-2-1-12-27-18)11-13-28(25,26)19-9-7-17(22)8-10-19/h1-10,12H,11,13-14H2
InChIKeyVPNONWFDSHPTCW-UHFFFAOYSA-N
XLogP5.17
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.40
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzamide (CID 2820287) is 4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzamide is O=C(c1ccc(Cl)cc1)N(CCS(=O)(=O)c1ccc(Cl)cc1)Cc1cccs1.
What is the InChIKey of 4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is VPNONWFDSHPTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO3S2/c21-16-5-3-15(4-6-16)20(24)23(14-18-2-1-12-27-18)11-13-28(25,26)19-9-7-17(22)8-10-19/h1-10,12H,11,13-14H2.
What are the key properties of 4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzamide?
4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 454.40 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 2820287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).