1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylurea

C16H19N3O3S — CID 2812283

IUPAC1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylurea
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C16H19N3O3S/c1-12-9-10-14(23(21,22)19(2)3)11-15(12)18-16(20)17-13-7-5-4-6-8-13/h4-11H,1-3H3,(H2,17,18,20)
InChIKeyBGCFXPWRFLVIEJ-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.89
Rot. Bonds4

About 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylurea

1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylurea (PubChem CID 2812283) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylurea
PubChem CID2812283
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylurea
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C16H19N3O3S/c1-12-9-10-14(23(21,22)19(2)3)11-15(12)18-16(20)17-13-7-5-4-6-8-13/h4-11H,1-3H3,(H2,17,18,20)
InChIKeyBGCFXPWRFLVIEJ-UHFFFAOYSA-N
XLogP2.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylurea?
The IUPAC name of 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylurea (CID 2812283) is 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylurea.
What is the SMILES notation for 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylurea?
The canonical SMILES for 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylurea is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylurea?
The InChIKey is BGCFXPWRFLVIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-12-9-10-14(23(21,22)19(2)3)11-15(12)18-16(20)17-13-7-5-4-6-8-13/h4-11H,1-3H3,(H2,17,18,20).
What are the key properties of 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylurea?
1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylurea has a molecular weight of 333.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylurea is sourced from PubChem (CID 2812283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).