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

C17H19N3O3S — CID 729481

IUPAC1-(1-phenylcyclopropyl)-3-[(4-sulfamoylphenyl)methyl]urea
SMILESNS(=O)(=O)c1ccc(CNC(=O)NC2(c3ccccc3)CC2)cc1
InChIInChI=1S/C17H19N3O3S/c18-24(22,23)15-8-6-13(7-9-15)12-19-16(21)20-17(10-11-17)14-4-2-1-3-5-14/h1-9H,10-12H2,(H2,18,22,23)(H2,19,20,21)
InChIKeyXWDMDMIAQFICFG-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.82
Rot. Bonds5

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

1-(1-phenylcyclopropyl)-3-[(4-sulfamoylphenyl)methyl]urea (PubChem CID 729481) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-(1-phenylcyclopropyl)-3-[(4-sulfamoylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(1-phenylcyclopropyl)-3-[(4-sulfamoylphenyl)methyl]urea
PubChem CID729481
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name1-(1-phenylcyclopropyl)-3-[(4-sulfamoylphenyl)methyl]urea
SMILESNS(=O)(=O)c1ccc(CNC(=O)NC2(c3ccccc3)CC2)cc1
InChIInChI=1S/C17H19N3O3S/c18-24(22,23)15-8-6-13(7-9-15)12-19-16(21)20-17(10-11-17)14-4-2-1-3-5-14/h1-9H,10-12H2,(H2,18,22,23)(H2,19,20,21)
InChIKeyXWDMDMIAQFICFG-UHFFFAOYSA-N
XLogP1.82
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylcyclopropyl)-3-[(4-sulfamoylphenyl)methyl]urea?
The IUPAC name of 1-(1-phenylcyclopropyl)-3-[(4-sulfamoylphenyl)methyl]urea (CID 729481) is 1-(1-phenylcyclopropyl)-3-[(4-sulfamoylphenyl)methyl]urea.
What is the SMILES notation for 1-(1-phenylcyclopropyl)-3-[(4-sulfamoylphenyl)methyl]urea?
The canonical SMILES for 1-(1-phenylcyclopropyl)-3-[(4-sulfamoylphenyl)methyl]urea is NS(=O)(=O)c1ccc(CNC(=O)NC2(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(1-phenylcyclopropyl)-3-[(4-sulfamoylphenyl)methyl]urea?
The InChIKey is XWDMDMIAQFICFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c18-24(22,23)15-8-6-13(7-9-15)12-19-16(21)20-17(10-11-17)14-4-2-1-3-5-14/h1-9H,10-12H2,(H2,18,22,23)(H2,19,20,21).
What are the key properties of 1-(1-phenylcyclopropyl)-3-[(4-sulfamoylphenyl)methyl]urea?
1-(1-phenylcyclopropyl)-3-[(4-sulfamoylphenyl)methyl]urea has a molecular weight of 345.42 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylcyclopropyl)-3-[(4-sulfamoylphenyl)methyl]urea is sourced from PubChem (CID 729481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).