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

C15H17N3O3S — CID 108898098

IUPAC1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea
SMILESCc1cccc(CNC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H17N3O3S/c1-11-3-2-4-12(9-11)10-17-15(19)18-13-5-7-14(8-6-13)22(16,20)21/h2-9H,10H2,1H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyOLRPIQIJLFATAB-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.96
Rot. Bonds4

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

1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea (PubChem CID 108898098) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea
PubChem CID108898098
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea
SMILESCc1cccc(CNC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H17N3O3S/c1-11-3-2-4-12(9-11)10-17-15(19)18-13-5-7-14(8-6-13)22(16,20)21/h2-9H,10H2,1H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyOLRPIQIJLFATAB-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

1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898468
N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898073
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445
1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea
CID 51970987
1-[4-[(3-methylphenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222648
1-[(3-methylphenyl)methyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871988
N'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108984696
1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea
CID 54944882
[4-[[3-[[[4-(3-methylphenyl)sulfonyloxyphenyl]carbamoylamino]methyl]phenyl]methylcarbamoylamino]phenyl] 3-methylbenzenesulfonate
CID 155661533
1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47194938
1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 108866438
2-methyl-1-[(3-methylphenyl)methyl]-3-[(4-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111899600

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea (CID 108898098) is 1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea is Cc1cccc(CNC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea?
The InChIKey is OLRPIQIJLFATAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-11-3-2-4-12(9-11)10-17-15(19)18-13-5-7-14(8-6-13)22(16,20)21/h2-9H,10H2,1H3,(H2,16,20,21)(H2,17,18,19).
What are the key properties of 1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea?
1-[(3-methylphenyl)methyl]-3-(4-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-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 108898098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).