1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea

C12H12N4O3S — CID 108892683

IUPAC1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ccncc2)cc1
InChIInChI=1S/C12H12N4O3S/c13-20(18,19)11-3-1-9(2-4-11)15-12(17)16-10-5-7-14-8-6-10/h1-8H,(H2,13,18,19)(H2,14,15,16,17)
InChIKeyCHEUKAMFGFEWHY-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.37
Rot. Bonds3

About 1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea

1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea (PubChem CID 108892683) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea
PubChem CID108892683
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ccncc2)cc1
InChIInChI=1S/C12H12N4O3S/c13-20(18,19)11-3-1-9(2-4-11)15-12(17)16-10-5-7-14-8-6-10/h1-8H,(H2,13,18,19)(H2,14,15,16,17)
InChIKeyCHEUKAMFGFEWHY-UHFFFAOYSA-N
XLogP1.37
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 2813478
1-carbamoyl-3-(4-sulfamoylphenyl)urea
CID 86191002
1-(pyridin-4-ylmethyl)-3-(4-sulfamoylphenyl)thiourea
CID 3261165
1-(4-bromophenyl)-3-pyridin-4-ylurea
CID 677050
1-amino-3-pyridin-4-ylurea
CID 15289585
1-(2-oxoethyl)-3-(4-sulfamoylphenyl)urea
CID 146027008
1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 27870041
1-(2-iodophenyl)-3-(4-sulfamoylphenyl)urea
CID 68630610
4-(pyridine-4-carbonyl)benzenesulfonamide
CID 23274879
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pyridine-4-carboxylate
CID 7783819
1-(3-methylbutan-2-yl)-3-(4-sulfamoylphenyl)urea
CID 47120702
1-[(1S)-1-pyridin-4-ylethyl]-3-(4-sulfamoylphenyl)thiourea
CID 971707

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea (CID 108892683) is 1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)Nc2ccncc2)cc1.
What is the InChIKey of 1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea?
The InChIKey is CHEUKAMFGFEWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c13-20(18,19)11-3-1-9(2-4-11)15-12(17)16-10-5-7-14-8-6-10/h1-8H,(H2,13,18,19)(H2,14,15,16,17).
What are the key properties of 1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea?
1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea has a molecular weight of 292.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 108892683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).