1-benzyl-3-(2-methyl-6-phenylphenyl)sulfonylurea

C21H20N2O3S — CID 139747810

IUPAC1-benzyl-3-(2-methyl-6-phenylphenyl)sulfonylurea
SMILESCc1cccc(-c2ccccc2)c1S(=O)(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C21H20N2O3S/c1-16-9-8-14-19(18-12-6-3-7-13-18)20(16)27(25,26)23-21(24)22-15-17-10-4-2-5-11-17/h2-14H,15H2,1H3,(H2,22,23,24)
InChIKeyUDBYVRAGCRSJGG-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.85
Rot. Bonds5

About 1-benzyl-3-(2-methyl-6-phenylphenyl)sulfonylurea

1-benzyl-3-(2-methyl-6-phenylphenyl)sulfonylurea (PubChem CID 139747810) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-benzyl-3-(2-methyl-6-phenylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-benzyl-3-(2-methyl-6-phenylphenyl)sulfonylurea
PubChem CID139747810
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name1-benzyl-3-(2-methyl-6-phenylphenyl)sulfonylurea
SMILESCc1cccc(-c2ccccc2)c1S(=O)(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C21H20N2O3S/c1-16-9-8-14-19(18-12-6-3-7-13-18)20(16)27(25,26)23-21(24)22-15-17-10-4-2-5-11-17/h2-14H,15H2,1H3,(H2,22,23,24)
InChIKeyUDBYVRAGCRSJGG-UHFFFAOYSA-N
XLogP3.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-(2-phenylphenyl)sulfonylurea
CID 142661395
2-methyl-6-phenylbenzenesulfonic acid
CID 23031918
1-benzyl-3-(2,6-dimethylphenyl)urea
CID 2823182
1-(2-methylphenyl)sulfonyl-3-[(4-methylsulfanylphenyl)methyl]urea
CID 25042936
2-methyl-6-phenylbenzenesulfonamide
CID 118598398
(benzylcarbamoylamino)methanesulfonic acid
CID 14889772
2-(benzylcarbamoylamino)-3-methylbenzoic acid
CID 61182875
1-benzyl-3-(6-methyl-2-oxochromen-7-yl)sulfonylurea
CID 46175228
(2-phenylphenyl)sulfonylcarbamic acid
CID 23312596
(2R)-2-(benzylcarbamoylamino)-3-hydroxypropanoic acid
CID 80749676
2-(benzylcarbamoylamino)-3-hydroxypropanoic acid
CID 61183567
1-benzyl-3-(2-methoxy-6-methyl-1-oxobenzo[b][1,6]naphthyridin-4-yl)sulfonylurea
CID 11503363

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-methyl-6-phenylphenyl)sulfonylurea?
The IUPAC name of 1-benzyl-3-(2-methyl-6-phenylphenyl)sulfonylurea (CID 139747810) is 1-benzyl-3-(2-methyl-6-phenylphenyl)sulfonylurea.
What is the SMILES notation for 1-benzyl-3-(2-methyl-6-phenylphenyl)sulfonylurea?
The canonical SMILES for 1-benzyl-3-(2-methyl-6-phenylphenyl)sulfonylurea is Cc1cccc(-c2ccccc2)c1S(=O)(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(2-methyl-6-phenylphenyl)sulfonylurea?
The InChIKey is UDBYVRAGCRSJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-16-9-8-14-19(18-12-6-3-7-13-18)20(16)27(25,26)23-21(24)22-15-17-10-4-2-5-11-17/h2-14H,15H2,1H3,(H2,22,23,24).
What are the key properties of 1-benzyl-3-(2-methyl-6-phenylphenyl)sulfonylurea?
1-benzyl-3-(2-methyl-6-phenylphenyl)sulfonylurea has a molecular weight of 380.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-methyl-6-phenylphenyl)sulfonylurea is sourced from PubChem (CID 139747810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).