2-(2-chloroethylsulfonylamino)ethylurea

C5H12ClN3O3S — CID 107652346

IUPAC2-(2-chloroethylsulfonylamino)ethylurea
SMILESNC(=O)NCCNS(=O)(=O)CCCl
InChIInChI=1S/C5H12ClN3O3S/c6-1-4-13(11,12)9-3-2-8-5(7)10/h9H,1-4H2,(H3,7,8,10)
InChIKeyRXUQCAXCILZIJC-UHFFFAOYSA-N
MW229.69 g/mol
LogP-1.19
Rot. Bonds6

About 2-(2-chloroethylsulfonylamino)ethylurea

2-(2-chloroethylsulfonylamino)ethylurea (PubChem CID 107652346) has the molecular formula C5H12ClN3O3S and a molecular weight of 229.69 g/mol. Its IUPAC name is 2-(2-chloroethylsulfonylamino)ethylurea.

Molecular Properties

Compound Name2-(2-chloroethylsulfonylamino)ethylurea
PubChem CID107652346
Molecular FormulaC5H12ClN3O3S
Molecular Weight229.69 g/mol
Exact Mass229.03
IUPAC Name2-(2-chloroethylsulfonylamino)ethylurea
SMILESNC(=O)NCCNS(=O)(=O)CCCl
InChIInChI=1S/C5H12ClN3O3S/c6-1-4-13(11,12)9-3-2-8-5(7)10/h9H,1-4H2,(H3,7,8,10)
InChIKeyRXUQCAXCILZIJC-UHFFFAOYSA-N
XLogP-1.19
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminobutylsulfonylamino)ethylurea
CID 83115961
3-(2-chloroethylsulfonylamino)-N-methylpropanamide
CID 107651828
3-chloropropylurea
CID 6421120
2-[2-(2-aminophenyl)sulfanylethylsulfonylamino]ethylurea
CID 83116775
2-[(4-cyanophenyl)methylsulfonylamino]ethylurea
CID 83110980
2-(2-chloroethylsulfonylamino)-N-methylacetamide
CID 107650514
potassium 2-(carbamoylamino)ethanesulfonate
CID 23671517
3-[(4-amino-4-oxobutyl)sulfamoyl]propanoic acid
CID 60864275
N-[2-(carbamoylamino)ethyl]propanamide
CID 78993883
N-[2-(carbamoylamino)ethylcarbamoyl]-2-chloroacetamide
CID 83114145
N-(2-aminoethyl)-3-chloropropane-1-sulfonamide
CID 61248217
2-[(4-fluorophenyl)sulfonylamino]ethylurea
CID 78994332

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethylsulfonylamino)ethylurea?
The IUPAC name of 2-(2-chloroethylsulfonylamino)ethylurea (CID 107652346) is 2-(2-chloroethylsulfonylamino)ethylurea.
What is the SMILES notation for 2-(2-chloroethylsulfonylamino)ethylurea?
The canonical SMILES for 2-(2-chloroethylsulfonylamino)ethylurea is NC(=O)NCCNS(=O)(=O)CCCl.
What is the InChIKey of 2-(2-chloroethylsulfonylamino)ethylurea?
The InChIKey is RXUQCAXCILZIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClN3O3S/c6-1-4-13(11,12)9-3-2-8-5(7)10/h9H,1-4H2,(H3,7,8,10).
What are the key properties of 2-(2-chloroethylsulfonylamino)ethylurea?
2-(2-chloroethylsulfonylamino)ethylurea has a molecular weight of 229.69 g/mol, XLogP of -1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethylsulfonylamino)ethylurea is sourced from PubChem (CID 107652346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).