1-carbamoyl-3-(4-sulfamoylphenyl)urea

C8H10N4O4S — CID 86191002

IUPAC1-carbamoyl-3-(4-sulfamoylphenyl)urea
SMILESNC(=O)NC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C8H10N4O4S/c9-7(13)12-8(14)11-5-1-3-6(4-2-5)17(10,15)16/h1-4H,(H2,10,15,16)(H4,9,11,12,13,14)
InChIKeyPSSMEKJLQMHUOA-UHFFFAOYSA-N
MW258.26 g/mol
LogP-0.47
Rot. Bonds2

About 1-carbamoyl-3-(4-sulfamoylphenyl)urea

1-carbamoyl-3-(4-sulfamoylphenyl)urea (PubChem CID 86191002) has the molecular formula C8H10N4O4S and a molecular weight of 258.26 g/mol. Its IUPAC name is 1-carbamoyl-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-carbamoyl-3-(4-sulfamoylphenyl)urea
PubChem CID86191002
Molecular FormulaC8H10N4O4S
Molecular Weight258.26 g/mol
Exact Mass258.04
IUPAC Name1-carbamoyl-3-(4-sulfamoylphenyl)urea
SMILESNC(=O)NC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C8H10N4O4S/c9-7(13)12-8(14)11-5-1-3-6(4-2-5)17(10,15)16/h1-4H,(H2,10,15,16)(H4,9,11,12,13,14)
InChIKeyPSSMEKJLQMHUOA-UHFFFAOYSA-N
XLogP-0.47
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea
CID 108892683
1-(2-oxoethyl)-3-(4-sulfamoylphenyl)urea
CID 146027008
1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 2813478
1-(3-methylbutan-2-yl)-3-(4-sulfamoylphenyl)urea
CID 47120702
N-[4-[(4-sulfamoylanilino)sulfamoyl]phenyl]acetamide
CID 3595344
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
N-(4-fluorophenyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508654
1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 27870041
1-(2-iodophenyl)-3-(4-sulfamoylphenyl)urea
CID 68630610
1-[1-[[amino(methyl)amino]methylideneamino]ethenyl]-3-(4-sulfamoylphenyl)urea
CID 66664417
[(4-sulfamoylphenyl)carbamoylamino] 2-methylprop-2-enoate
CID 175278982
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616

Frequently Asked Questions

What is the IUPAC name of 1-carbamoyl-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-carbamoyl-3-(4-sulfamoylphenyl)urea (CID 86191002) is 1-carbamoyl-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-carbamoyl-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-carbamoyl-3-(4-sulfamoylphenyl)urea is NC(=O)NC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-carbamoyl-3-(4-sulfamoylphenyl)urea?
The InChIKey is PSSMEKJLQMHUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4S/c9-7(13)12-8(14)11-5-1-3-6(4-2-5)17(10,15)16/h1-4H,(H2,10,15,16)(H4,9,11,12,13,14).
What are the key properties of 1-carbamoyl-3-(4-sulfamoylphenyl)urea?
1-carbamoyl-3-(4-sulfamoylphenyl)urea has a molecular weight of 258.26 g/mol, XLogP of -0.47, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoyl-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 86191002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).