N-[2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylethenyl]formamide

C16H14ClNO3S — CID 88773982

IUPACN-[2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylethenyl]formamide
SMILESCc1ccc(S(=O)(=O)C(=Cc2ccc(Cl)cc2)NC=O)cc1
InChIInChI=1S/C16H14ClNO3S/c1-12-2-8-15(9-3-12)22(20,21)16(18-11-19)10-13-4-6-14(17)7-5-13/h2-11H,1H3,(H,18,19)
InChIKeyUUEVJYSGXHVIMP-UHFFFAOYSA-N
MW335.81 g/mol
LogP3.17
Rot. Bonds5

About N-[2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylethenyl]formamide

N-[2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylethenyl]formamide (PubChem CID 88773982) has the molecular formula C16H14ClNO3S and a molecular weight of 335.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylethenyl]formamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylethenyl]formamide
PubChem CID88773982
Molecular FormulaC16H14ClNO3S
Molecular Weight335.81 g/mol
Exact Mass335.04
IUPAC NameN-[2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylethenyl]formamide
SMILESCc1ccc(S(=O)(=O)C(=Cc2ccc(Cl)cc2)NC=O)cc1
InChIInChI=1S/C16H14ClNO3S/c1-12-2-8-15(9-3-12)22(20,21)16(18-11-19)10-13-4-6-14(17)7-5-13/h2-11H,1H3,(H,18,19)
InChIKeyUUEVJYSGXHVIMP-UHFFFAOYSA-N
XLogP3.17
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylethenyl]formamide?
The IUPAC name of N-[2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylethenyl]formamide (CID 88773982) is N-[2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylethenyl]formamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylethenyl]formamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylethenyl]formamide is Cc1ccc(S(=O)(=O)C(=Cc2ccc(Cl)cc2)NC=O)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylethenyl]formamide?
The InChIKey is UUEVJYSGXHVIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3S/c1-12-2-8-15(9-3-12)22(20,21)16(18-11-19)10-13-4-6-14(17)7-5-13/h2-11H,1H3,(H,18,19).
What are the key properties of N-[2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylethenyl]formamide?
N-[2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylethenyl]formamide has a molecular weight of 335.81 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylethenyl]formamide is sourced from PubChem (CID 88773982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).