N-[(Z)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]benzamide

C22H19NO3S — CID 6341691

IUPACN-[(Z)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]benzamide
SMILESCc1ccc(S(=O)(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19NO3S/c1-17-12-14-20(15-13-17)27(25,26)21(16-18-8-4-2-5-9-18)23-22(24)19-10-6-3-7-11-19/h2-16H,1H3,(H,23,24)/b21-16-
InChIKeySPPHZNWDRURDGL-PGMHBOJBSA-N
MW377.47 g/mol
LogP4.20
Rot. Bonds5

About N-[(Z)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]benzamide

N-[(Z)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]benzamide (PubChem CID 6341691) has the molecular formula C22H19NO3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[(Z)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]benzamide
PubChem CID6341691
Molecular FormulaC22H19NO3S
Molecular Weight377.47 g/mol
Exact Mass377.11
IUPAC NameN-[(Z)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]benzamide
SMILESCc1ccc(S(=O)(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19NO3S/c1-17-12-14-20(15-13-17)27(25,26)21(16-18-8-4-2-5-9-18)23-22(24)19-10-6-3-7-11-19/h2-16H,1H3,(H,23,24)/b21-16-
InChIKeySPPHZNWDRURDGL-PGMHBOJBSA-N
XLogP4.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]benzamide?
The IUPAC name of N-[(Z)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]benzamide (CID 6341691) is N-[(Z)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]benzamide.
What is the SMILES notation for N-[(Z)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]benzamide?
The canonical SMILES for N-[(Z)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]benzamide is Cc1ccc(S(=O)(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]benzamide?
The InChIKey is SPPHZNWDRURDGL-PGMHBOJBSA-N. The full InChI is InChI=1S/C22H19NO3S/c1-17-12-14-20(15-13-17)27(25,26)21(16-18-8-4-2-5-9-18)23-22(24)19-10-6-3-7-11-19/h2-16H,1H3,(H,23,24)/b21-16-.
What are the key properties of N-[(Z)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]benzamide?
N-[(Z)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]benzamide has a molecular weight of 377.47 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]benzamide is sourced from PubChem (CID 6341691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).