1-sulfonyl-3-[(E)-(sulfonylcarbamoylamino)diazenyl]urea

C2H2N6O6S2 — CID 145063647

IUPAC1-sulfonyl-3-[(E)-(sulfonylcarbamoylamino)diazenyl]urea
SMILESO=C(N=S(=O)=O)N/N=N/NC(=O)N=S(=O)=O
InChIInChI=1S/C2H2N6O6S2/c9-1(5-15(11)12)3-7-8-4-2(10)6-16(13)14/h(H,3,8,9)(H,4,7,10)
InChIKeyDNOLQTLYPLYPIY-UHFFFAOYSA-N
MW270.21 g/mol
LogP-1.19
Rot. Bonds2

About 1-sulfonyl-3-[(E)-(sulfonylcarbamoylamino)diazenyl]urea

1-sulfonyl-3-[(E)-(sulfonylcarbamoylamino)diazenyl]urea (PubChem CID 145063647) has the molecular formula C2H2N6O6S2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 1-sulfonyl-3-[(E)-(sulfonylcarbamoylamino)diazenyl]urea.

Molecular Properties

Compound Name1-sulfonyl-3-[(E)-(sulfonylcarbamoylamino)diazenyl]urea
PubChem CID145063647
Molecular FormulaC2H2N6O6S2
Molecular Weight270.21 g/mol
Exact Mass269.95
IUPAC Name1-sulfonyl-3-[(E)-(sulfonylcarbamoylamino)diazenyl]urea
SMILESO=C(N=S(=O)=O)N/N=N/NC(=O)N=S(=O)=O
InChIInChI=1S/C2H2N6O6S2/c9-1(5-15(11)12)3-7-8-4-2(10)6-16(13)14/h(H,3,8,9)(H,4,7,10)
InChIKeyDNOLQTLYPLYPIY-UHFFFAOYSA-N
XLogP-1.19
TPSA175.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-sulfanyl-3-sulfonylurea
CID 22564727
1-(1-hydroxyethyl)-3-sulfonylurea
CID 174402656
1-pyrimidin-2-yl-3-sulfonylurea
CID 23043226
1-hexadecyl-3-sulfonylurea
CID 87997477
CID 172688574
CID 172688574
azane;N-sulfonylacetamide
CID 174881843
sulfane;sulfonylurea;urea
CID 159945588
but-2-ene;1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-sulfonylurea
CID 173425118
N,N-diethylethanamine;methyl N-sulfonylcarbamate
CID 12688775
methyl N-sulfonylcarbamate;oxolane
CID 139258006
sulfonylurea;1,3,5-triazine
CID 19074086
ethyl N-[(ethoxycarbonylamino)diazenyl]carbamate
CID 137234542

Frequently Asked Questions

What is the IUPAC name of 1-sulfonyl-3-[(E)-(sulfonylcarbamoylamino)diazenyl]urea?
The IUPAC name of 1-sulfonyl-3-[(E)-(sulfonylcarbamoylamino)diazenyl]urea (CID 145063647) is 1-sulfonyl-3-[(E)-(sulfonylcarbamoylamino)diazenyl]urea.
What is the SMILES notation for 1-sulfonyl-3-[(E)-(sulfonylcarbamoylamino)diazenyl]urea?
The canonical SMILES for 1-sulfonyl-3-[(E)-(sulfonylcarbamoylamino)diazenyl]urea is O=C(N=S(=O)=O)N/N=N/NC(=O)N=S(=O)=O.
What is the InChIKey of 1-sulfonyl-3-[(E)-(sulfonylcarbamoylamino)diazenyl]urea?
The InChIKey is DNOLQTLYPLYPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N6O6S2/c9-1(5-15(11)12)3-7-8-4-2(10)6-16(13)14/h(H,3,8,9)(H,4,7,10).
What are the key properties of 1-sulfonyl-3-[(E)-(sulfonylcarbamoylamino)diazenyl]urea?
1-sulfonyl-3-[(E)-(sulfonylcarbamoylamino)diazenyl]urea has a molecular weight of 270.21 g/mol, XLogP of -1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfonyl-3-[(E)-(sulfonylcarbamoylamino)diazenyl]urea is sourced from PubChem (CID 145063647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).