1-methyl-N-(3-methylphenyl)-4-phenylcyclohexa-2,4-diene-1-sulfonamide

C20H21NO2S — CID 175124759

IUPAC1-methyl-N-(3-methylphenyl)-4-phenylcyclohexa-2,4-diene-1-sulfonamide
SMILESCc1cccc(NS(=O)(=O)C2(C)C=CC(c3ccccc3)=CC2)c1
InChIInChI=1S/C20H21NO2S/c1-16-7-6-10-19(15-16)21-24(22,23)20(2)13-11-18(12-14-20)17-8-4-3-5-9-17/h3-13,15,21H,14H2,1-2H3
InChIKeyNGCWOUQTJLBDGR-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.54
Rot. Bonds4

About 1-methyl-N-(3-methylphenyl)-4-phenylcyclohexa-2,4-diene-1-sulfonamide

1-methyl-N-(3-methylphenyl)-4-phenylcyclohexa-2,4-diene-1-sulfonamide (PubChem CID 175124759) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-methyl-N-(3-methylphenyl)-4-phenylcyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(3-methylphenyl)-4-phenylcyclohexa-2,4-diene-1-sulfonamide
PubChem CID175124759
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC Name1-methyl-N-(3-methylphenyl)-4-phenylcyclohexa-2,4-diene-1-sulfonamide
SMILESCc1cccc(NS(=O)(=O)C2(C)C=CC(c3ccccc3)=CC2)c1
InChIInChI=1S/C20H21NO2S/c1-16-7-6-10-19(15-16)21-24(22,23)20(2)13-11-18(12-14-20)17-8-4-3-5-9-17/h3-13,15,21H,14H2,1-2H3
InChIKeyNGCWOUQTJLBDGR-UHFFFAOYSA-N
XLogP4.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylphenyl)-4-phenylcyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 1-methyl-N-(3-methylphenyl)-4-phenylcyclohexa-2,4-diene-1-sulfonamide (CID 175124759) is 1-methyl-N-(3-methylphenyl)-4-phenylcyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 1-methyl-N-(3-methylphenyl)-4-phenylcyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 1-methyl-N-(3-methylphenyl)-4-phenylcyclohexa-2,4-diene-1-sulfonamide is Cc1cccc(NS(=O)(=O)C2(C)C=CC(c3ccccc3)=CC2)c1.
What is the InChIKey of 1-methyl-N-(3-methylphenyl)-4-phenylcyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is NGCWOUQTJLBDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S/c1-16-7-6-10-19(15-16)21-24(22,23)20(2)13-11-18(12-14-20)17-8-4-3-5-9-17/h3-13,15,21H,14H2,1-2H3.
What are the key properties of 1-methyl-N-(3-methylphenyl)-4-phenylcyclohexa-2,4-diene-1-sulfonamide?
1-methyl-N-(3-methylphenyl)-4-phenylcyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 339.46 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylphenyl)-4-phenylcyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 175124759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).