4-methyl-N-(6-oxo-1,4,5-triphenylpyrimidin-2-yl)benzenesulfonamide

C29H23N3O3S — CID 15364860

IUPAC4-methyl-N-(6-oxo-1,4,5-triphenylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)c(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C29H23N3O3S/c1-21-17-19-25(20-18-21)36(34,35)31-29-30-27(23-13-7-3-8-14-23)26(22-11-5-2-6-12-22)28(33)32(29)24-15-9-4-10-16-24/h2-20H,1H3,(H,30,31)
InChIKeyDQPYZQFKFOQDBT-UHFFFAOYSA-N
MW493.59 g/mol
LogP5.68
Rot. Bonds6

About 4-methyl-N-(6-oxo-1,4,5-triphenylpyrimidin-2-yl)benzenesulfonamide

4-methyl-N-(6-oxo-1,4,5-triphenylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 15364860) has the molecular formula C29H23N3O3S and a molecular weight of 493.59 g/mol. Its IUPAC name is 4-methyl-N-(6-oxo-1,4,5-triphenylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(6-oxo-1,4,5-triphenylpyrimidin-2-yl)benzenesulfonamide
PubChem CID15364860
Molecular FormulaC29H23N3O3S
Molecular Weight493.59 g/mol
Exact Mass493.15
IUPAC Name4-methyl-N-(6-oxo-1,4,5-triphenylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)c(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C29H23N3O3S/c1-21-17-19-25(20-18-21)36(34,35)31-29-30-27(23-13-7-3-8-14-23)26(22-11-5-2-6-12-22)28(33)32(29)24-15-9-4-10-16-24/h2-20H,1H3,(H,30,31)
InChIKeyDQPYZQFKFOQDBT-UHFFFAOYSA-N
XLogP5.68
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.59
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(1-phenylimidazol-2-yl)benzenesulfonamide
CID 10519258
4-methyl-N-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 10596607
4-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 7553748
1-(4-methylphenyl)-3-[4-(4-oxo-2-phenylquinazolin-3-yl)phenyl]sulfonylurea
CID 3087297
4-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 91968264
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide
CID 1360492
N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide
CID 6896191
N-[1-benzyl-5-methyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
CID 67647245
2-[4-(2-ethyl-5-methyl-4-phenylimidazol-1-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate
CID 91159372
2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole
CID 166512378
4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzenesulfonamide
CID 17220334

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-oxo-1,4,5-triphenylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(6-oxo-1,4,5-triphenylpyrimidin-2-yl)benzenesulfonamide (CID 15364860) is 4-methyl-N-(6-oxo-1,4,5-triphenylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(6-oxo-1,4,5-triphenylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(6-oxo-1,4,5-triphenylpyrimidin-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)c(=O)n2-c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-(6-oxo-1,4,5-triphenylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is DQPYZQFKFOQDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O3S/c1-21-17-19-25(20-18-21)36(34,35)31-29-30-27(23-13-7-3-8-14-23)26(22-11-5-2-6-12-22)28(33)32(29)24-15-9-4-10-16-24/h2-20H,1H3,(H,30,31).
What are the key properties of 4-methyl-N-(6-oxo-1,4,5-triphenylpyrimidin-2-yl)benzenesulfonamide?
4-methyl-N-(6-oxo-1,4,5-triphenylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 493.59 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(6-oxo-1,4,5-triphenylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 15364860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).