benzonitrile;sulfamide

C7H9N3O2S — CID 159924446

IUPACbenzonitrile;sulfamide
SMILESN#Cc1ccccc1.NS(N)(=O)=O
InChIInChI=1S/C7H5N.H4N2O2S/c8-6-7-4-2-1-3-5-7;1-5(2,3)4/h1-5H;(H4,1,2,3,4)
InChIKeyNYVCPSPUAVROMN-UHFFFAOYSA-N
MW199.24 g/mol
LogP-0.29
Rot. Bonds

About benzonitrile;sulfamide

benzonitrile;sulfamide (PubChem CID 159924446) has the molecular formula C7H9N3O2S and a molecular weight of 199.24 g/mol. Its IUPAC name is benzonitrile;sulfamide.

Molecular Properties

Compound Namebenzonitrile;sulfamide
PubChem CID159924446
Molecular FormulaC7H9N3O2S
Molecular Weight199.24 g/mol
Exact Mass199.04
IUPAC Namebenzonitrile;sulfamide
SMILESN#Cc1ccccc1.NS(N)(=O)=O
InChIInChI=1S/C7H5N.H4N2O2S/c8-6-7-4-2-1-3-5-7;1-5(2,3)4/h1-5H;(H4,1,2,3,4)
InChIKeyNYVCPSPUAVROMN-UHFFFAOYSA-N
XLogP-0.29
TPSA109.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzonitrile;sulfamide?
The IUPAC name of benzonitrile;sulfamide (CID 159924446) is benzonitrile;sulfamide.
What is the SMILES notation for benzonitrile;sulfamide?
The canonical SMILES for benzonitrile;sulfamide is N#Cc1ccccc1.NS(N)(=O)=O.
What is the InChIKey of benzonitrile;sulfamide?
The InChIKey is NYVCPSPUAVROMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N.H4N2O2S/c8-6-7-4-2-1-3-5-7;1-5(2,3)4/h1-5H;(H4,1,2,3,4).
What are the key properties of benzonitrile;sulfamide?
benzonitrile;sulfamide has a molecular weight of 199.24 g/mol, XLogP of -0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzonitrile;sulfamide is sourced from PubChem (CID 159924446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).