benzyl N,N-dibenzylsulfamate

C21H21NO3S — CID 22184355

IUPACbenzyl N,N-dibenzylsulfamate
SMILESO=S(=O)(OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H21NO3S/c23-26(24,25-18-21-14-8-3-9-15-21)22(16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-15H,16-18H2
InChIKeyOGNRHGTVHQGESA-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.15
Rot. Bonds8

About benzyl N,N-dibenzylsulfamate

benzyl N,N-dibenzylsulfamate (PubChem CID 22184355) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is benzyl N,N-dibenzylsulfamate.

Molecular Properties

Compound Namebenzyl N,N-dibenzylsulfamate
PubChem CID22184355
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC Namebenzyl N,N-dibenzylsulfamate
SMILESO=S(=O)(OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H21NO3S/c23-26(24,25-18-21-14-8-3-9-15-21)22(16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-15H,16-18H2
InChIKeyOGNRHGTVHQGESA-UHFFFAOYSA-N
XLogP4.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl methanesulfonate;formaldehyde
CID 175233269
benzyl hydrogen sulfate
CID 20818
sodium N,N-dibenzylsulfamate
CID 141380855
benzyl hydroxy sulfate
CID 174960485
fluoro-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane
CID 141038856
sodium benzyl phenylmethanesulfonate
CID 22169271
N,N-dibenzyl-1-chloromethanesulfonamide
CID 63666157
2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 118796291
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 162089156
ethyl-oxo-phenylmethoxy-sulfanylidene-λ6-sulfane
CID 139915926
phenylmethoxysulfonylmethanesulfonic acid
CID 86632337
N,N-dibenzylpropane-1-sulfonamide
CID 60642874

Frequently Asked Questions

What is the IUPAC name of benzyl N,N-dibenzylsulfamate?
The IUPAC name of benzyl N,N-dibenzylsulfamate (CID 22184355) is benzyl N,N-dibenzylsulfamate.
What is the SMILES notation for benzyl N,N-dibenzylsulfamate?
The canonical SMILES for benzyl N,N-dibenzylsulfamate is O=S(=O)(OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of benzyl N,N-dibenzylsulfamate?
The InChIKey is OGNRHGTVHQGESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S/c23-26(24,25-18-21-14-8-3-9-15-21)22(16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-15H,16-18H2.
What are the key properties of benzyl N,N-dibenzylsulfamate?
benzyl N,N-dibenzylsulfamate has a molecular weight of 367.47 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N,N-dibenzylsulfamate is sourced from PubChem (CID 22184355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).