phenyl N-cyclohexyl-N-phenoxysulfonylsulfamate

C18H21NO6S2 — CID 56986396

IUPACphenyl N-cyclohexyl-N-phenoxysulfonylsulfamate
SMILESO=S(=O)(Oc1ccccc1)N(C1CCCCC1)S(=O)(=O)Oc1ccccc1
InChIInChI=1S/C18H21NO6S2/c20-26(21,24-17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)27(22,23)25-18-14-8-3-9-15-18/h2-3,6-9,12-16H,1,4-5,10-11H2
InChIKeyBBMGQWCUZAQLAB-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.27
Rot. Bonds7

About phenyl N-cyclohexyl-N-phenoxysulfonylsulfamate

phenyl N-cyclohexyl-N-phenoxysulfonylsulfamate (PubChem CID 56986396) has the molecular formula C18H21NO6S2 and a molecular weight of 411.50 g/mol. Its IUPAC name is phenyl N-cyclohexyl-N-phenoxysulfonylsulfamate.

Molecular Properties

Compound Namephenyl N-cyclohexyl-N-phenoxysulfonylsulfamate
PubChem CID56986396
Molecular FormulaC18H21NO6S2
Molecular Weight411.50 g/mol
Exact Mass411.08
IUPAC Namephenyl N-cyclohexyl-N-phenoxysulfonylsulfamate
SMILESO=S(=O)(Oc1ccccc1)N(C1CCCCC1)S(=O)(=O)Oc1ccccc1
InChIInChI=1S/C18H21NO6S2/c20-26(21,24-17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)27(22,23)25-18-14-8-3-9-15-18/h2-3,6-9,12-16H,1,4-5,10-11H2
InChIKeyBBMGQWCUZAQLAB-UHFFFAOYSA-N
XLogP3.27
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze phenyl N-cyclohexyl-N-phenoxysulfonylsulfamate 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 phenyl N-cyclohexyl-N-phenoxysulfonylsulfamate?
The IUPAC name of phenyl N-cyclohexyl-N-phenoxysulfonylsulfamate (CID 56986396) is phenyl N-cyclohexyl-N-phenoxysulfonylsulfamate.
What is the SMILES notation for phenyl N-cyclohexyl-N-phenoxysulfonylsulfamate?
The canonical SMILES for phenyl N-cyclohexyl-N-phenoxysulfonylsulfamate is O=S(=O)(Oc1ccccc1)N(C1CCCCC1)S(=O)(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-cyclohexyl-N-phenoxysulfonylsulfamate?
The InChIKey is BBMGQWCUZAQLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6S2/c20-26(21,24-17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)27(22,23)25-18-14-8-3-9-15-18/h2-3,6-9,12-16H,1,4-5,10-11H2.
What are the key properties of phenyl N-cyclohexyl-N-phenoxysulfonylsulfamate?
phenyl N-cyclohexyl-N-phenoxysulfonylsulfamate has a molecular weight of 411.50 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-cyclohexyl-N-phenoxysulfonylsulfamate is sourced from PubChem (CID 56986396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).