1-(4-pyrrol-1-ylphenyl)-3-[(4-sulfamoylphenyl)methyl]urea

C18H18N4O3S — CID 108886735

IUPAC1-(4-pyrrol-1-ylphenyl)-3-[(4-sulfamoylphenyl)methyl]urea
SMILESNS(=O)(=O)c1ccc(CNC(=O)Nc2ccc(-n3cccc3)cc2)cc1
InChIInChI=1S/C18H18N4O3S/c19-26(24,25)17-9-3-14(4-10-17)13-20-18(23)21-15-5-7-16(8-6-15)22-11-1-2-12-22/h1-12H,13H2,(H2,19,24,25)(H2,20,21,23)
InChIKeyLBDJMJTWGHPSMB-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.45
Rot. Bonds5

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

1-(4-pyrrol-1-ylphenyl)-3-[(4-sulfamoylphenyl)methyl]urea (PubChem CID 108886735) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-(4-pyrrol-1-ylphenyl)-3-[(4-sulfamoylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-pyrrol-1-ylphenyl)-3-[(4-sulfamoylphenyl)methyl]urea
PubChem CID108886735
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name1-(4-pyrrol-1-ylphenyl)-3-[(4-sulfamoylphenyl)methyl]urea
SMILESNS(=O)(=O)c1ccc(CNC(=O)Nc2ccc(-n3cccc3)cc2)cc1
InChIInChI=1S/C18H18N4O3S/c19-26(24,25)17-9-3-14(4-10-17)13-20-18(23)21-15-5-7-16(8-6-15)22-11-1-2-12-22/h1-12H,13H2,(H2,19,24,25)(H2,20,21,23)
InChIKeyLBDJMJTWGHPSMB-UHFFFAOYSA-N
XLogP2.45
TPSA106.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide
CID 26718752
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
1-[[3-(aminomethyl)phenyl]methyl]-3-(4-pyrrol-1-ylphenyl)urea
CID 108886726
1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898468
1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898098
1-(4-sulfamoylphenyl)-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24650999
N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108989678
1-(2,3,4,5,6-pentafluorophenyl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 11269442
1-[2-(4-fluorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)urea
CID 108886865
1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea
CID 110293756
1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-sulfamoylphenyl)acetamide
CID 18276908

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrrol-1-ylphenyl)-3-[(4-sulfamoylphenyl)methyl]urea?
The IUPAC name of 1-(4-pyrrol-1-ylphenyl)-3-[(4-sulfamoylphenyl)methyl]urea (CID 108886735) is 1-(4-pyrrol-1-ylphenyl)-3-[(4-sulfamoylphenyl)methyl]urea.
What is the SMILES notation for 1-(4-pyrrol-1-ylphenyl)-3-[(4-sulfamoylphenyl)methyl]urea?
The canonical SMILES for 1-(4-pyrrol-1-ylphenyl)-3-[(4-sulfamoylphenyl)methyl]urea is NS(=O)(=O)c1ccc(CNC(=O)Nc2ccc(-n3cccc3)cc2)cc1.
What is the InChIKey of 1-(4-pyrrol-1-ylphenyl)-3-[(4-sulfamoylphenyl)methyl]urea?
The InChIKey is LBDJMJTWGHPSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c19-26(24,25)17-9-3-14(4-10-17)13-20-18(23)21-15-5-7-16(8-6-15)22-11-1-2-12-22/h1-12H,13H2,(H2,19,24,25)(H2,20,21,23).
What are the key properties of 1-(4-pyrrol-1-ylphenyl)-3-[(4-sulfamoylphenyl)methyl]urea?
1-(4-pyrrol-1-ylphenyl)-3-[(4-sulfamoylphenyl)methyl]urea has a molecular weight of 370.43 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrrol-1-ylphenyl)-3-[(4-sulfamoylphenyl)methyl]urea is sourced from PubChem (CID 108886735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).