N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]benzamide

C16H13Cl2NO3S — CID 1380035

IUPACN-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]benzamide
SMILESCc1ccc(S(=O)(=O)C(NC(=O)c2ccccc2)=C(Cl)Cl)cc1
InChIInChI=1S/C16H13Cl2NO3S/c1-11-7-9-13(10-8-11)23(21,22)16(14(17)18)19-15(20)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20)
InChIKeyNOOZHIIEVBTHDV-UHFFFAOYSA-N
MW370.26 g/mol
LogP3.80
Rot. Bonds4

About N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]benzamide

N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]benzamide (PubChem CID 1380035) has the molecular formula C16H13Cl2NO3S and a molecular weight of 370.26 g/mol. Its IUPAC name is N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]benzamide.

Molecular Properties

Compound NameN-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]benzamide
PubChem CID1380035
Molecular FormulaC16H13Cl2NO3S
Molecular Weight370.26 g/mol
Exact Mass369.00
IUPAC NameN-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]benzamide
SMILESCc1ccc(S(=O)(=O)C(NC(=O)c2ccccc2)=C(Cl)Cl)cc1
InChIInChI=1S/C16H13Cl2NO3S/c1-11-7-9-13(10-8-11)23(21,22)16(14(17)18)19-15(20)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20)
InChIKeyNOOZHIIEVBTHDV-UHFFFAOYSA-N
XLogP3.80
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 53.80
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-methylphenyl)sulfonylethenyl]benzamide?
The IUPAC name of N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]benzamide (CID 1380035) is N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]benzamide.
What is the SMILES notation for N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]benzamide?
The canonical SMILES for N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]benzamide is Cc1ccc(S(=O)(=O)C(NC(=O)c2ccccc2)=C(Cl)Cl)cc1.
What is the InChIKey of N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]benzamide?
The InChIKey is NOOZHIIEVBTHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO3S/c1-11-7-9-13(10-8-11)23(21,22)16(14(17)18)19-15(20)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20).
What are the key properties of N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]benzamide?
N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]benzamide has a molecular weight of 370.26 g/mol, XLogP of 3.80, 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-methylphenyl)sulfonylethenyl]benzamide is sourced from PubChem (CID 1380035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).