(benzylsulfonylamino)urea

C8H11N3O3S — CID 21225494

IUPAC(benzylsulfonylamino)urea
SMILESNC(=O)NNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C8H11N3O3S/c9-8(12)10-11-15(13,14)6-7-4-2-1-3-5-7/h1-5,11H,6H2,(H3,9,10,12)
InChIKeyADKBFXONJXPFNP-UHFFFAOYSA-N
MW229.26 g/mol
LogP-0.31
Rot. Bonds4

About (benzylsulfonylamino)urea

(benzylsulfonylamino)urea (PubChem CID 21225494) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is (benzylsulfonylamino)urea.

Molecular Properties

Compound Name(benzylsulfonylamino)urea
PubChem CID21225494
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name(benzylsulfonylamino)urea
SMILESNC(=O)NNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C8H11N3O3S/c9-8(12)10-11-15(13,14)6-7-4-2-1-3-5-7/h1-5,11H,6H2,(H3,9,10,12)
InChIKeyADKBFXONJXPFNP-UHFFFAOYSA-N
XLogP-0.31
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-benzylsulfonylfuran-2-carbohydrazide
CID 8515985
2-(2-benzylsulfonylhydrazinyl)-N-cyclopropyl-2-oxoacetamide
CID 8841275
2-(benzylsulfonylamino)ethanethioamide
CID 61127504
benzyl 2-(benzamidosulfamoyl)acetate
CID 134581254
N-iodo-1-phenylmethanesulfonamide
CID 88874569
benzyl N-(carbamoylamino)carbamate
CID 141421180
N-benzylsulfonylbenzenesulfonamide
CID 102116917
benzene;(carbamoylamino)sulfamic acid
CID 67847711
N-(bromomethyl)-1-phenylmethanesulfonamide
CID 174927038
N'-(4,6-diamino-1,3,5-triazin-2-yl)-1-phenylmethanesulfonohydrazide
CID 139826147
(2S)-2-(benzylsulfonylamino)-4-hydroxybutanoic acid
CID 104934956
(phenylmethoxyamino)urea
CID 67928507

Frequently Asked Questions

What is the IUPAC name of (benzylsulfonylamino)urea?
The IUPAC name of (benzylsulfonylamino)urea (CID 21225494) is (benzylsulfonylamino)urea.
What is the SMILES notation for (benzylsulfonylamino)urea?
The canonical SMILES for (benzylsulfonylamino)urea is NC(=O)NNS(=O)(=O)Cc1ccccc1.
What is the InChIKey of (benzylsulfonylamino)urea?
The InChIKey is ADKBFXONJXPFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c9-8(12)10-11-15(13,14)6-7-4-2-1-3-5-7/h1-5,11H,6H2,(H3,9,10,12).
What are the key properties of (benzylsulfonylamino)urea?
(benzylsulfonylamino)urea has a molecular weight of 229.26 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (benzylsulfonylamino)urea is sourced from PubChem (CID 21225494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).