phenyl N-butanoylsulfamate

C10H13NO4S — CID 67481345

IUPACphenyl N-butanoylsulfamate
SMILESCCCC(=O)NS(=O)(=O)Oc1ccccc1
InChIInChI=1S/C10H13NO4S/c1-2-6-10(12)11-16(13,14)15-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,11,12)
InChIKeyARUAXKJCVKERLE-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.23
Rot. Bonds5

About phenyl N-butanoylsulfamate

phenyl N-butanoylsulfamate (PubChem CID 67481345) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is phenyl N-butanoylsulfamate.

Molecular Properties

Compound Namephenyl N-butanoylsulfamate
PubChem CID67481345
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Namephenyl N-butanoylsulfamate
SMILESCCCC(=O)NS(=O)(=O)Oc1ccccc1
InChIInChI=1S/C10H13NO4S/c1-2-6-10(12)11-16(13,14)15-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,11,12)
InChIKeyARUAXKJCVKERLE-UHFFFAOYSA-N
XLogP1.23
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylphenyl) N-butanoylsulfamate
CID 12045636
phenyl N-benzoylsulfamate
CID 165129244
phenyl 3-oxohexane-1-sulfonate
CID 102166879
(4-methylphenyl) N-phenoxysulfonylcarbamate
CID 142655832
N-[(4-phenoxyphenyl)methyl]butanamide
CID 155214759
phenyl 1-oxopentadecane-1-sulfonate
CID 175255484
phenyl butanoate
CID 20354
alumane;phenyl butanoate
CID 174579212
phenyl butanoate;zirconium
CID 175596905
phenyl 1-oxoethanesulfonate
CID 18999205
phenyl N-phenylsulfamate
CID 13042751
ethyl-oxo-phenoxy-sulfanylidene-λ6-sulfane
CID 139915928

Frequently Asked Questions

What is the IUPAC name of phenyl N-butanoylsulfamate?
The IUPAC name of phenyl N-butanoylsulfamate (CID 67481345) is phenyl N-butanoylsulfamate.
What is the SMILES notation for phenyl N-butanoylsulfamate?
The canonical SMILES for phenyl N-butanoylsulfamate is CCCC(=O)NS(=O)(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-butanoylsulfamate?
The InChIKey is ARUAXKJCVKERLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-2-6-10(12)11-16(13,14)15-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,11,12).
What are the key properties of phenyl N-butanoylsulfamate?
phenyl N-butanoylsulfamate has a molecular weight of 243.28 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-butanoylsulfamate is sourced from PubChem (CID 67481345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).