1-benzyl-1-methyl-3-(3-sulfamoylphenyl)urea

C15H17N3O3S — CID 38150302

IUPAC1-benzyl-1-methyl-3-(3-sulfamoylphenyl)urea
SMILESCN(Cc1ccccc1)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H17N3O3S/c1-18(11-12-6-3-2-4-7-12)15(19)17-13-8-5-9-14(10-13)22(16,20)21/h2-10H,11H2,1H3,(H,17,19)(H2,16,20,21)
InChIKeyHSRTVRBOFWARDD-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.00
Rot. Bonds4

About 1-benzyl-1-methyl-3-(3-sulfamoylphenyl)urea

1-benzyl-1-methyl-3-(3-sulfamoylphenyl)urea (PubChem CID 38150302) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 1-benzyl-1-methyl-3-(3-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-benzyl-1-methyl-3-(3-sulfamoylphenyl)urea
PubChem CID38150302
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name1-benzyl-1-methyl-3-(3-sulfamoylphenyl)urea
SMILESCN(Cc1ccccc1)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H17N3O3S/c1-18(11-12-6-3-2-4-7-12)15(19)17-13-8-5-9-14(10-13)22(16,20)21/h2-10H,11H2,1H3,(H,17,19)(H2,16,20,21)
InChIKeyHSRTVRBOFWARDD-UHFFFAOYSA-N
XLogP2.00
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-methyl-3-(3-sulfamoylphenyl)urea?
The IUPAC name of 1-benzyl-1-methyl-3-(3-sulfamoylphenyl)urea (CID 38150302) is 1-benzyl-1-methyl-3-(3-sulfamoylphenyl)urea.
What is the SMILES notation for 1-benzyl-1-methyl-3-(3-sulfamoylphenyl)urea?
The canonical SMILES for 1-benzyl-1-methyl-3-(3-sulfamoylphenyl)urea is CN(Cc1ccccc1)C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 1-benzyl-1-methyl-3-(3-sulfamoylphenyl)urea?
The InChIKey is HSRTVRBOFWARDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-18(11-12-6-3-2-4-7-12)15(19)17-13-8-5-9-14(10-13)22(16,20)21/h2-10H,11H2,1H3,(H,17,19)(H2,16,20,21).
What are the key properties of 1-benzyl-1-methyl-3-(3-sulfamoylphenyl)urea?
1-benzyl-1-methyl-3-(3-sulfamoylphenyl)urea has a molecular weight of 319.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-methyl-3-(3-sulfamoylphenyl)urea is sourced from PubChem (CID 38150302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).