1,1-dimethyl-3-[(4-sulfamoylphenyl)methyl]urea

C10H15N3O3S — CID 2227132

IUPAC1,1-dimethyl-3-[(4-sulfamoylphenyl)methyl]urea
SMILESCN(C)C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H15N3O3S/c1-13(2)10(14)12-7-8-3-5-9(6-4-8)17(11,15)16/h3-6H,7H2,1-2H3,(H,12,14)(H2,11,15,16)
InChIKeyXRRFZAOHJPDHBE-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.11
Rot. Bonds3

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

1,1-dimethyl-3-[(4-sulfamoylphenyl)methyl]urea (PubChem CID 2227132) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 1,1-dimethyl-3-[(4-sulfamoylphenyl)methyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[(4-sulfamoylphenyl)methyl]urea
PubChem CID2227132
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name1,1-dimethyl-3-[(4-sulfamoylphenyl)methyl]urea
SMILESCN(C)C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H15N3O3S/c1-13(2)10(14)12-7-8-3-5-9(6-4-8)17(11,15)16/h3-6H,7H2,1-2H3,(H,12,14)(H2,11,15,16)
InChIKeyXRRFZAOHJPDHBE-UHFFFAOYSA-N
XLogP0.11
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[(4-sulfamoylphenyl)methyl]urea?
The IUPAC name of 1,1-dimethyl-3-[(4-sulfamoylphenyl)methyl]urea (CID 2227132) is 1,1-dimethyl-3-[(4-sulfamoylphenyl)methyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[(4-sulfamoylphenyl)methyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[(4-sulfamoylphenyl)methyl]urea is CN(C)C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1,1-dimethyl-3-[(4-sulfamoylphenyl)methyl]urea?
The InChIKey is XRRFZAOHJPDHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-13(2)10(14)12-7-8-3-5-9(6-4-8)17(11,15)16/h3-6H,7H2,1-2H3,(H,12,14)(H2,11,15,16).
What are the key properties of 1,1-dimethyl-3-[(4-sulfamoylphenyl)methyl]urea?
1,1-dimethyl-3-[(4-sulfamoylphenyl)methyl]urea has a molecular weight of 257.31 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[(4-sulfamoylphenyl)methyl]urea is sourced from PubChem (CID 2227132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).