[4-(4-cyanophenyl)phenyl] sulfamate

C13H10N2O3S — CID 10355971

IUPAC[4-(4-cyanophenyl)phenyl] sulfamate
SMILESN#Cc1ccc(-c2ccc(OS(N)(=O)=O)cc2)cc1
InChIInChI=1S/C13H10N2O3S/c14-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)18-19(15,16)17/h1-8H,(H2,15,16,17)
InChIKeyHPCCVQLRLAFFNI-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.81
Rot. Bonds3

About [4-(4-cyanophenyl)phenyl] sulfamate

[4-(4-cyanophenyl)phenyl] sulfamate (PubChem CID 10355971) has the molecular formula C13H10N2O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is [4-(4-cyanophenyl)phenyl] sulfamate.

Molecular Properties

Compound Name[4-(4-cyanophenyl)phenyl] sulfamate
PubChem CID10355971
Molecular FormulaC13H10N2O3S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC Name[4-(4-cyanophenyl)phenyl] sulfamate
SMILESN#Cc1ccc(-c2ccc(OS(N)(=O)=O)cc2)cc1
InChIInChI=1S/C13H10N2O3S/c14-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)18-19(15,16)17/h1-8H,(H2,15,16,17)
InChIKeyHPCCVQLRLAFFNI-UHFFFAOYSA-N
XLogP1.81
TPSA93.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-cyanophenyl)phenyl] sulfamate?
The IUPAC name of [4-(4-cyanophenyl)phenyl] sulfamate (CID 10355971) is [4-(4-cyanophenyl)phenyl] sulfamate.
What is the SMILES notation for [4-(4-cyanophenyl)phenyl] sulfamate?
The canonical SMILES for [4-(4-cyanophenyl)phenyl] sulfamate is N#Cc1ccc(-c2ccc(OS(N)(=O)=O)cc2)cc1.
What is the InChIKey of [4-(4-cyanophenyl)phenyl] sulfamate?
The InChIKey is HPCCVQLRLAFFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S/c14-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)18-19(15,16)17/h1-8H,(H2,15,16,17).
What are the key properties of [4-(4-cyanophenyl)phenyl] sulfamate?
[4-(4-cyanophenyl)phenyl] sulfamate has a molecular weight of 274.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyanophenyl)phenyl] sulfamate is sourced from PubChem (CID 10355971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).