N-[1-(4-methylphenyl)sulfonyl-2,2-diphenylethenyl]formamide

C22H19NO3S — CID 12501512

IUPACN-[1-(4-methylphenyl)sulfonyl-2,2-diphenylethenyl]formamide
SMILESCc1ccc(S(=O)(=O)C(NC=O)=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H19NO3S/c1-17-12-14-20(15-13-17)27(25,26)22(23-16-24)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16H,1H3,(H,23,24)
InChIKeyIUPNAXMWICVMCF-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.93
Rot. Bonds6

About N-[1-(4-methylphenyl)sulfonyl-2,2-diphenylethenyl]formamide

N-[1-(4-methylphenyl)sulfonyl-2,2-diphenylethenyl]formamide (PubChem CID 12501512) has the molecular formula C22H19NO3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)sulfonyl-2,2-diphenylethenyl]formamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)sulfonyl-2,2-diphenylethenyl]formamide
PubChem CID12501512
Molecular FormulaC22H19NO3S
Molecular Weight377.47 g/mol
Exact Mass377.11
IUPAC NameN-[1-(4-methylphenyl)sulfonyl-2,2-diphenylethenyl]formamide
SMILESCc1ccc(S(=O)(=O)C(NC=O)=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H19NO3S/c1-17-12-14-20(15-13-17)27(25,26)22(23-16-24)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16H,1H3,(H,23,24)
InChIKeyIUPNAXMWICVMCF-UHFFFAOYSA-N
XLogP3.93
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.93
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-[1-(4-methylphenyl)sulfonyl-2,2-diphenylethenyl]formamide?
The IUPAC name of N-[1-(4-methylphenyl)sulfonyl-2,2-diphenylethenyl]formamide (CID 12501512) is N-[1-(4-methylphenyl)sulfonyl-2,2-diphenylethenyl]formamide.
What is the SMILES notation for N-[1-(4-methylphenyl)sulfonyl-2,2-diphenylethenyl]formamide?
The canonical SMILES for N-[1-(4-methylphenyl)sulfonyl-2,2-diphenylethenyl]formamide is Cc1ccc(S(=O)(=O)C(NC=O)=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)sulfonyl-2,2-diphenylethenyl]formamide?
The InChIKey is IUPNAXMWICVMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3S/c1-17-12-14-20(15-13-17)27(25,26)22(23-16-24)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16H,1H3,(H,23,24).
What are the key properties of N-[1-(4-methylphenyl)sulfonyl-2,2-diphenylethenyl]formamide?
N-[1-(4-methylphenyl)sulfonyl-2,2-diphenylethenyl]formamide has a molecular weight of 377.47 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)sulfonyl-2,2-diphenylethenyl]formamide is sourced from PubChem (CID 12501512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).