1-(4-bromo-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea

C15H15BrN2O3S — CID 2375417

IUPAC1-(4-bromo-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C15H15BrN2O3S/c1-10-3-6-13(7-4-10)22(20,21)18-15(19)17-12-5-8-14(16)11(2)9-12/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyDKSJVIHNXQYZCH-UHFFFAOYSA-N
MW383.27 g/mol
LogP3.58
Rot. Bonds3

About 1-(4-bromo-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea

1-(4-bromo-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea (PubChem CID 2375417) has the molecular formula C15H15BrN2O3S and a molecular weight of 383.27 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea
PubChem CID2375417
Molecular FormulaC15H15BrN2O3S
Molecular Weight383.27 g/mol
Exact Mass382.00
IUPAC Name1-(4-bromo-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C15H15BrN2O3S/c1-10-3-6-13(7-4-10)22(20,21)18-15(19)17-12-5-8-14(16)11(2)9-12/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyDKSJVIHNXQYZCH-UHFFFAOYSA-N
XLogP3.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 110774458
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-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
1-(4-methylphenyl)sulfonyl-3-(2-oxobenzimidazol-5-yl)urea
CID 78269792
[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phosphonic acid
CID 90890500
1-(benzenesulfonyl)-3-(3,4-dimethylphenyl)urea;ethane
CID 91616190
1-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 110774461
1-(4-methylphenyl)sulfonyl-3-(4-nitrophenyl)urea
CID 4604602
1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea
CID 146591354
1-[2-methyl-4-[3-methyl-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea
CID 4151875
1-(4-bromo-3-methylphenyl)-3-[3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]urea
CID 139171111

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea (CID 2375417) is 1-(4-bromo-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Br)c(C)c2)cc1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea?
The InChIKey is DKSJVIHNXQYZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3S/c1-10-3-6-13(7-4-10)22(20,21)18-15(19)17-12-5-8-14(16)11(2)9-12/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(4-bromo-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea?
1-(4-bromo-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea has a molecular weight of 383.27 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 2375417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).