1-cyano-4-(sulfamoylamino)benzene

C7H7N3O2S — CID 18975977

IUPAC1-cyano-4-(sulfamoylamino)benzene
SMILESN#Cc1ccc(NS(N)(=O)=O)cc1
InChIInChI=1S/C7H7N3O2S/c8-5-6-1-3-7(4-2-6)10-13(9,11)12/h1-4,10H,(H2,9,11,12)
InChIKeyXFOYAXPHCAOZCA-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.17
Rot. Bonds2

About 1-cyano-4-(sulfamoylamino)benzene

1-cyano-4-(sulfamoylamino)benzene (PubChem CID 18975977) has the molecular formula C7H7N3O2S and a molecular weight of 197.22 g/mol. Its IUPAC name is 1-cyano-4-(sulfamoylamino)benzene.

Molecular Properties

Compound Name1-cyano-4-(sulfamoylamino)benzene
PubChem CID18975977
Molecular FormulaC7H7N3O2S
Molecular Weight197.22 g/mol
Exact Mass197.03
IUPAC Name1-cyano-4-(sulfamoylamino)benzene
SMILESN#Cc1ccc(NS(N)(=O)=O)cc1
InChIInChI=1S/C7H7N3O2S/c8-5-6-1-3-7(4-2-6)10-13(9,11)12/h1-4,10H,(H2,9,11,12)
InChIKeyXFOYAXPHCAOZCA-UHFFFAOYSA-N
XLogP0.17
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-4-(sulfamoylamino)benzene?
The IUPAC name of 1-cyano-4-(sulfamoylamino)benzene (CID 18975977) is 1-cyano-4-(sulfamoylamino)benzene.
What is the SMILES notation for 1-cyano-4-(sulfamoylamino)benzene?
The canonical SMILES for 1-cyano-4-(sulfamoylamino)benzene is N#Cc1ccc(NS(N)(=O)=O)cc1.
What is the InChIKey of 1-cyano-4-(sulfamoylamino)benzene?
The InChIKey is XFOYAXPHCAOZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S/c8-5-6-1-3-7(4-2-6)10-13(9,11)12/h1-4,10H,(H2,9,11,12).
What are the key properties of 1-cyano-4-(sulfamoylamino)benzene?
1-cyano-4-(sulfamoylamino)benzene has a molecular weight of 197.22 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-4-(sulfamoylamino)benzene is sourced from PubChem (CID 18975977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).