phenyl N-phenylsulfamate

C12H11NO3S — CID 13042751

IUPACphenyl N-phenylsulfamate
SMILESO=S(=O)(Nc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11NO3S/c14-17(15,13-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10,13H
InChIKeyBLDIXSSTLLWASD-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.42
Rot. Bonds4

About phenyl N-phenylsulfamate

phenyl N-phenylsulfamate (PubChem CID 13042751) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is phenyl N-phenylsulfamate.

Molecular Properties

Compound Namephenyl N-phenylsulfamate
PubChem CID13042751
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Namephenyl N-phenylsulfamate
SMILESO=S(=O)(Nc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11NO3S/c14-17(15,13-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10,13H
InChIKeyBLDIXSSTLLWASD-UHFFFAOYSA-N
XLogP2.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze phenyl N-phenylsulfamate with MolForge

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

Launch Full Analysis

Related Compounds

phenyl N-(4-aminophenyl)sulfamate
CID 174862819
phenyl N-(3-amino-4-methylphenyl)sulfamate
CID 175312801
sulfino N-phenylsulfamate
CID 175492142
1-N,4-N-bis(phenylsulfamoyl)benzene-1,4-diamine
CID 139179736
phenyl N-benzoylsulfamate
CID 165129244
phenylsulfamic acid
CID 160771078
benzene;(sulfamoylamino)benzene
CID 174742453
N-phenylsulfamoyl chloride
CID 11564615
(4-nitrophenyl) N-(3-methoxyphenyl)sulfamate
CID 86189004
diphenyl ethane-1,2-disulfonate
CID 4219954
sodium phenyl sulfate
CID 23678346
[4-(phenylsulfamoyl)phenyl] 4-hydroxybenzenesulfonate
CID 11384184

Frequently Asked Questions

What is the IUPAC name of phenyl N-phenylsulfamate?
The IUPAC name of phenyl N-phenylsulfamate (CID 13042751) is phenyl N-phenylsulfamate.
What is the SMILES notation for phenyl N-phenylsulfamate?
The canonical SMILES for phenyl N-phenylsulfamate is O=S(=O)(Nc1ccccc1)Oc1ccccc1.
What is the InChIKey of phenyl N-phenylsulfamate?
The InChIKey is BLDIXSSTLLWASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c14-17(15,13-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10,13H.
What are the key properties of phenyl N-phenylsulfamate?
phenyl N-phenylsulfamate has a molecular weight of 249.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-phenylsulfamate is sourced from PubChem (CID 13042751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).