1-(4-methylphenyl)sulfonyl-3-(2-oxobenzimidazol-5-yl)urea

C15H12N4O4S — CID 78269792

IUPAC1-(4-methylphenyl)sulfonyl-3-(2-oxobenzimidazol-5-yl)urea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(c2)=NC(=O)N=3)cc1
InChIInChI=1S/C15H12N4O4S/c1-9-2-5-11(6-3-9)24(22,23)19-15(21)16-10-4-7-12-13(8-10)18-14(20)17-12/h2-8H,1H3,(H2,16,19,21)
InChIKeyIKGGPUFCIGSLKI-UHFFFAOYSA-N
MW344.35 g/mol
LogP0.88
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-3-(2-oxobenzimidazol-5-yl)urea

1-(4-methylphenyl)sulfonyl-3-(2-oxobenzimidazol-5-yl)urea (PubChem CID 78269792) has the molecular formula C15H12N4O4S and a molecular weight of 344.35 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-(2-oxobenzimidazol-5-yl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-(2-oxobenzimidazol-5-yl)urea
PubChem CID78269792
Molecular FormulaC15H12N4O4S
Molecular Weight344.35 g/mol
Exact Mass344.06
IUPAC Name1-(4-methylphenyl)sulfonyl-3-(2-oxobenzimidazol-5-yl)urea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(c2)=NC(=O)N=3)cc1
InChIInChI=1S/C15H12N4O4S/c1-9-2-5-11(6-3-9)24(22,23)19-15(21)16-10-4-7-12-13(8-10)18-14(20)17-12/h2-8H,1H3,(H2,16,19,21)
InChIKeyIKGGPUFCIGSLKI-UHFFFAOYSA-N
XLogP0.88
TPSA117.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730
1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 5268819
1-(4-bromo-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 2375417
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
1-(4-methoxy-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 110774458
[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] acetate
CID 69350721
[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phosphonic acid
CID 90890500
1-(4-methylphenyl)sulfonyl-3-[4-[3-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenoxy]propoxy]phenyl]urea
CID 139757137
1-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 110774461
1-(4-methylphenyl)sulfonyl-3-(4-nitrophenyl)urea
CID 4604602
1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylurea
CID 2740796
1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea
CID 146591354

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-(2-oxobenzimidazol-5-yl)urea?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-(2-oxobenzimidazol-5-yl)urea (CID 78269792) is 1-(4-methylphenyl)sulfonyl-3-(2-oxobenzimidazol-5-yl)urea.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-(2-oxobenzimidazol-5-yl)urea?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-(2-oxobenzimidazol-5-yl)urea is Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(c2)=NC(=O)N=3)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-(2-oxobenzimidazol-5-yl)urea?
The InChIKey is IKGGPUFCIGSLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4S/c1-9-2-5-11(6-3-9)24(22,23)19-15(21)16-10-4-7-12-13(8-10)18-14(20)17-12/h2-8H,1H3,(H2,16,19,21).
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-(2-oxobenzimidazol-5-yl)urea?
1-(4-methylphenyl)sulfonyl-3-(2-oxobenzimidazol-5-yl)urea has a molecular weight of 344.35 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-(2-oxobenzimidazol-5-yl)urea is sourced from PubChem (CID 78269792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).