1-[(4-methylphenyl)methyl]-3-(2-sulfamoylphenyl)urea

C15H17N3O3S — CID 20694113

IUPAC1-[(4-methylphenyl)methyl]-3-(2-sulfamoylphenyl)urea
SMILESCc1ccc(CNC(=O)Nc2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C15H17N3O3S/c1-11-6-8-12(9-7-11)10-17-15(19)18-13-4-2-3-5-14(13)22(16,20)21/h2-9H,10H2,1H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyYBKQNEPZLPOPKP-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.96
Rot. Bonds4

About 1-[(4-methylphenyl)methyl]-3-(2-sulfamoylphenyl)urea

1-[(4-methylphenyl)methyl]-3-(2-sulfamoylphenyl)urea (PubChem CID 20694113) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-(2-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-(2-sulfamoylphenyl)urea
PubChem CID20694113
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name1-[(4-methylphenyl)methyl]-3-(2-sulfamoylphenyl)urea
SMILESCc1ccc(CNC(=O)Nc2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C15H17N3O3S/c1-11-6-8-12(9-7-11)10-17-15(19)18-13-4-2-3-5-14(13)22(16,20)21/h2-9H,10H2,1H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyYBKQNEPZLPOPKP-UHFFFAOYSA-N
XLogP1.96
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[2-[(4-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 47033746
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
1-(2-chloroethyl)-3-(2-sulfamoylphenyl)urea
CID 14868379
1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 17263304
1-(2-butan-2-ylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 108899158
1-propan-2-yl-3-(2-sulfamoylphenyl)urea
CID 61131721
1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 47033074
1-(2-chlorophenyl)-3-(2-sulfamoylphenyl)urea
CID 61131953
1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133695
trans-(1R,2R)-2-N-[(4-methylphenyl)methyl]-1-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 10413839
1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868159
4-[(4-methylphenyl)methylcarbamoylamino]benzenesulfonic acid
CID 108899031

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-(2-sulfamoylphenyl)urea?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-(2-sulfamoylphenyl)urea (CID 20694113) is 1-[(4-methylphenyl)methyl]-3-(2-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-(2-sulfamoylphenyl)urea?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-(2-sulfamoylphenyl)urea is Cc1ccc(CNC(=O)Nc2ccccc2S(N)(=O)=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-(2-sulfamoylphenyl)urea?
The InChIKey is YBKQNEPZLPOPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-11-6-8-12(9-7-11)10-17-15(19)18-13-4-2-3-5-14(13)22(16,20)21/h2-9H,10H2,1H3,(H2,16,20,21)(H2,17,18,19).
What are the key properties of 1-[(4-methylphenyl)methyl]-3-(2-sulfamoylphenyl)urea?
1-[(4-methylphenyl)methyl]-3-(2-sulfamoylphenyl)urea has a molecular weight of 319.39 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-(2-sulfamoylphenyl)urea is sourced from PubChem (CID 20694113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).