1-(2-cyanophenyl)-1-methyl-3-(4-sulfamoylphenyl)urea

C15H14N4O3S — CID 123439376

IUPAC1-(2-cyanophenyl)-1-methyl-3-(4-sulfamoylphenyl)urea
SMILESCN(C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1C#N
InChIInChI=1S/C15H14N4O3S/c1-19(14-5-3-2-4-11(14)10-16)15(20)18-12-6-8-13(9-7-12)23(17,21)22/h2-9H,1H3,(H,18,20)(H2,17,21,22)
InChIKeyHMESIPRIZCSPHD-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.87
Rot. Bonds3

About 1-(2-cyanophenyl)-1-methyl-3-(4-sulfamoylphenyl)urea

1-(2-cyanophenyl)-1-methyl-3-(4-sulfamoylphenyl)urea (PubChem CID 123439376) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-1-methyl-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(2-cyanophenyl)-1-methyl-3-(4-sulfamoylphenyl)urea
PubChem CID123439376
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name1-(2-cyanophenyl)-1-methyl-3-(4-sulfamoylphenyl)urea
SMILESCN(C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1C#N
InChIInChI=1S/C15H14N4O3S/c1-19(14-5-3-2-4-11(14)10-16)15(20)18-12-6-8-13(9-7-12)23(17,21)22/h2-9H,1H3,(H,18,20)(H2,17,21,22)
InChIKeyHMESIPRIZCSPHD-UHFFFAOYSA-N
XLogP1.87
TPSA116.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-cyanophenyl)-N-methylbenzamide
CID 54296865
N'-methyl-N'-phenyl-N-(4-sulfamoylphenyl)oxamide
CID 108508706
(Z)-2-cyano-3-(N-methylanilino)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 108841875
1-cyclohexyl-1-methyl-3-(4-sulfamoylphenyl)urea
CID 27869234
4-(2-cyanophenyl)benzenesulfonamide
CID 102354115
(2S)-2-[[(2-cyanophenyl)-methylcarbamoyl]amino]pentanoic acid
CID 107567318
1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 40881689
2-(2-cyanophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 55597385
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
N-amino-N-(4-sulfamoylanilino)benzamide
CID 175270267
1-methyl-3-(4-methylsulfonylphenyl)-1-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55695530
4-amino-N-(2-cyanophenyl)-N,3-dimethylbutanamide
CID 81079299

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-1-methyl-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(2-cyanophenyl)-1-methyl-3-(4-sulfamoylphenyl)urea (CID 123439376) is 1-(2-cyanophenyl)-1-methyl-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(2-cyanophenyl)-1-methyl-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(2-cyanophenyl)-1-methyl-3-(4-sulfamoylphenyl)urea is CN(C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1C#N.
What is the InChIKey of 1-(2-cyanophenyl)-1-methyl-3-(4-sulfamoylphenyl)urea?
The InChIKey is HMESIPRIZCSPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-19(14-5-3-2-4-11(14)10-16)15(20)18-12-6-8-13(9-7-12)23(17,21)22/h2-9H,1H3,(H,18,20)(H2,17,21,22).
What are the key properties of 1-(2-cyanophenyl)-1-methyl-3-(4-sulfamoylphenyl)urea?
1-(2-cyanophenyl)-1-methyl-3-(4-sulfamoylphenyl)urea has a molecular weight of 330.37 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-1-methyl-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 123439376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).