1-(benzenesulfonyl)-1-carbamoylurea

C8H9N3O4S — CID 70230141

IUPAC1-(benzenesulfonyl)-1-carbamoylurea
SMILESNC(=O)N(C(N)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C8H9N3O4S/c9-7(12)11(8(10)13)16(14,15)6-4-2-1-3-5-6/h1-5H,(H2,9,12)(H2,10,13)
InChIKeyCBRAHEULWDTDLP-UHFFFAOYSA-N
MW243.24 g/mol
LogP-0.17
Rot. Bonds2

About 1-(benzenesulfonyl)-1-carbamoylurea

1-(benzenesulfonyl)-1-carbamoylurea (PubChem CID 70230141) has the molecular formula C8H9N3O4S and a molecular weight of 243.24 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-1-carbamoylurea.

Molecular Properties

Compound Name1-(benzenesulfonyl)-1-carbamoylurea
PubChem CID70230141
Molecular FormulaC8H9N3O4S
Molecular Weight243.24 g/mol
Exact Mass243.03
IUPAC Name1-(benzenesulfonyl)-1-carbamoylurea
SMILESNC(=O)N(C(N)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C8H9N3O4S/c9-7(12)11(8(10)13)16(14,15)6-4-2-1-3-5-6/h1-5H,(H2,9,12)(H2,10,13)
InChIKeyCBRAHEULWDTDLP-UHFFFAOYSA-N
XLogP-0.17
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-1-phenoxyurea
CID 54187275
1-(benzenesulfonyl)-1-(2-methylpropyl)urea
CID 154208378
[benzenesulfonyl(methyl)amino]urea
CID 172749121
N'-(benzenesulfonyl)-N'-methylbutanediamide
CID 101154406
3-[[benzenesulfonyl(benzyl)amino]methyl]benzamide
CID 91589407
3-[benzenesulfonyl-[2-[benzenesulfonyl(2-carboxyethyl)amino]ethyl]amino]propanoic acid
CID 21496766
N-(2-hydroxyethyl)benzenesulfonohydrazide
CID 15634697
[benzenesulfonyl(sulfino)sulfamoyl]benzene
CID 155757825
3-[methyl(phenyl)sulfamoyl]benzamide
CID 47102696
2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide
CID 1099916
N-(benzenesulfonyl)-N-phenacylbenzenesulfonamide
CID 138760798
N-(benzenesulfonyl)-N-ethylacetamide
CID 138792566

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-1-carbamoylurea?
The IUPAC name of 1-(benzenesulfonyl)-1-carbamoylurea (CID 70230141) is 1-(benzenesulfonyl)-1-carbamoylurea.
What is the SMILES notation for 1-(benzenesulfonyl)-1-carbamoylurea?
The canonical SMILES for 1-(benzenesulfonyl)-1-carbamoylurea is NC(=O)N(C(N)=O)S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-1-carbamoylurea?
The InChIKey is CBRAHEULWDTDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4S/c9-7(12)11(8(10)13)16(14,15)6-4-2-1-3-5-6/h1-5H,(H2,9,12)(H2,10,13).
What are the key properties of 1-(benzenesulfonyl)-1-carbamoylurea?
1-(benzenesulfonyl)-1-carbamoylurea has a molecular weight of 243.24 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-1-carbamoylurea is sourced from PubChem (CID 70230141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).