(3-cyanophenyl) sulfamate

C7H6N2O3S — CID 10420257

IUPAC(3-cyanophenyl) sulfamate
SMILESN#Cc1cccc(OS(N)(=O)=O)c1
InChIInChI=1S/C7H6N2O3S/c8-5-6-2-1-3-7(4-6)12-13(9,10)11/h1-4H,(H2,9,10,11)
InChIKeyLJMMVSSXNQNZJW-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.14
Rot. Bonds2

About (3-cyanophenyl) sulfamate

(3-cyanophenyl) sulfamate (PubChem CID 10420257) has the molecular formula C7H6N2O3S and a molecular weight of 198.20 g/mol. Its IUPAC name is (3-cyanophenyl) sulfamate.

Molecular Properties

Compound Name(3-cyanophenyl) sulfamate
PubChem CID10420257
Molecular FormulaC7H6N2O3S
Molecular Weight198.20 g/mol
Exact Mass198.01
IUPAC Name(3-cyanophenyl) sulfamate
SMILESN#Cc1cccc(OS(N)(=O)=O)c1
InChIInChI=1S/C7H6N2O3S/c8-5-6-2-1-3-7(4-6)12-13(9,10)11/h1-4H,(H2,9,10,11)
InChIKeyLJMMVSSXNQNZJW-UHFFFAOYSA-N
XLogP0.14
TPSA93.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-cyanophenyl) sulfamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-cyanophenyl) sulfamate?
The IUPAC name of (3-cyanophenyl) sulfamate (CID 10420257) is (3-cyanophenyl) sulfamate.
What is the SMILES notation for (3-cyanophenyl) sulfamate?
The canonical SMILES for (3-cyanophenyl) sulfamate is N#Cc1cccc(OS(N)(=O)=O)c1.
What is the InChIKey of (3-cyanophenyl) sulfamate?
The InChIKey is LJMMVSSXNQNZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3S/c8-5-6-2-1-3-7(4-6)12-13(9,10)11/h1-4H,(H2,9,10,11).
What are the key properties of (3-cyanophenyl) sulfamate?
(3-cyanophenyl) sulfamate has a molecular weight of 198.20 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyanophenyl) sulfamate is sourced from PubChem (CID 10420257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).