N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-methylbenzamide

C16H12Cl3NO3S — CID 4088432

IUPACN-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(=C(Cl)Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H12Cl3NO3S/c1-10-2-4-11(5-3-10)15(21)20-16(14(18)19)24(22,23)13-8-6-12(17)7-9-13/h2-9H,1H3,(H,20,21)
InChIKeyTXWVRXIPVNFSIR-UHFFFAOYSA-N
MW404.70 g/mol
LogP4.46
Rot. Bonds4

About N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-methylbenzamide

N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-methylbenzamide (PubChem CID 4088432) has the molecular formula C16H12Cl3NO3S and a molecular weight of 404.70 g/mol. Its IUPAC name is N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-methylbenzamide
PubChem CID4088432
Molecular FormulaC16H12Cl3NO3S
Molecular Weight404.70 g/mol
Exact Mass402.96
IUPAC NameN-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(=C(Cl)Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H12Cl3NO3S/c1-10-2-4-11(5-3-10)15(21)20-16(14(18)19)24(22,23)13-8-6-12(17)7-9-13/h2-9H,1H3,(H,20,21)
InChIKeyTXWVRXIPVNFSIR-UHFFFAOYSA-N
XLogP4.46
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.70
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-methylbenzamide?
The IUPAC name of N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-methylbenzamide (CID 4088432) is N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-methylbenzamide.
What is the SMILES notation for N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-methylbenzamide?
The canonical SMILES for N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-methylbenzamide is Cc1ccc(C(=O)NC(=C(Cl)Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-methylbenzamide?
The InChIKey is TXWVRXIPVNFSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3NO3S/c1-10-2-4-11(5-3-10)15(21)20-16(14(18)19)24(22,23)13-8-6-12(17)7-9-13/h2-9H,1H3,(H,20,21).
What are the key properties of N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-methylbenzamide?
N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-methylbenzamide has a molecular weight of 404.70 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-methylbenzamide is sourced from PubChem (CID 4088432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).