(4-methylphenyl) N-butanoylsulfamate

C11H15NO4S — CID 12045636

IUPAC(4-methylphenyl) N-butanoylsulfamate
SMILESCCCC(=O)NS(=O)(=O)Oc1ccc(C)cc1
InChIInChI=1S/C11H15NO4S/c1-3-4-11(13)12-17(14,15)16-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3,(H,12,13)
InChIKeyALVKICLIBDXNGY-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.53
Rot. Bonds5

About (4-methylphenyl) N-butanoylsulfamate

(4-methylphenyl) N-butanoylsulfamate (PubChem CID 12045636) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is (4-methylphenyl) N-butanoylsulfamate.

Molecular Properties

Compound Name(4-methylphenyl) N-butanoylsulfamate
PubChem CID12045636
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name(4-methylphenyl) N-butanoylsulfamate
SMILESCCCC(=O)NS(=O)(=O)Oc1ccc(C)cc1
InChIInChI=1S/C11H15NO4S/c1-3-4-11(13)12-17(14,15)16-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3,(H,12,13)
InChIKeyALVKICLIBDXNGY-UHFFFAOYSA-N
XLogP1.53
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylphenyl) N-phenoxysulfonylcarbamate
CID 142655832
N-[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]butanamide
CID 171990032
N-[(4-methylphenyl)methyl]butanamide
CID 835678
N-(4-methylphenyl)sulfonyloctanamide
CID 13094109
ethyl 2-[4-(methoxycarbonylsulfamoyloxy)phenyl]acetate
CID 110193378
ethane;N-(4-methylphenyl)butanamide;molecular hydrogen
CID 155712374
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 4581682
hydroxy-(4-methylphenoxy)-oxo-sulfanylidene-λ6-sulfane
CID 54397585
(4-methylphenyl) decane-1-sulfonate
CID 87380183
N-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837141
(4-methylphenyl) 2-ethylsulfonylacetate
CID 86219817
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) N-butanoylsulfamate?
The IUPAC name of (4-methylphenyl) N-butanoylsulfamate (CID 12045636) is (4-methylphenyl) N-butanoylsulfamate.
What is the SMILES notation for (4-methylphenyl) N-butanoylsulfamate?
The canonical SMILES for (4-methylphenyl) N-butanoylsulfamate is CCCC(=O)NS(=O)(=O)Oc1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl) N-butanoylsulfamate?
The InChIKey is ALVKICLIBDXNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-3-4-11(13)12-17(14,15)16-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3,(H,12,13).
What are the key properties of (4-methylphenyl) N-butanoylsulfamate?
(4-methylphenyl) N-butanoylsulfamate has a molecular weight of 257.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) N-butanoylsulfamate is sourced from PubChem (CID 12045636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).