6-(benzylsulfamoylamino)-3H-2-benzofuran-1-one

C15H14N2O4S — CID 56861749

IUPAC6-(benzylsulfamoylamino)-3H-2-benzofuran-1-one
SMILESO=C1OCc2ccc(NS(=O)(=O)NCc3ccccc3)cc21
InChIInChI=1S/C15H14N2O4S/c18-15-14-8-13(7-6-12(14)10-21-15)17-22(19,20)16-9-11-4-2-1-3-5-11/h1-8,16-17H,9-10H2
InChIKeyMNKCDCNZMSXXJD-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.80
Rot. Bonds5

About 6-(benzylsulfamoylamino)-3H-2-benzofuran-1-one

6-(benzylsulfamoylamino)-3H-2-benzofuran-1-one (PubChem CID 56861749) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 6-(benzylsulfamoylamino)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name6-(benzylsulfamoylamino)-3H-2-benzofuran-1-one
PubChem CID56861749
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name6-(benzylsulfamoylamino)-3H-2-benzofuran-1-one
SMILESO=C1OCc2ccc(NS(=O)(=O)NCc3ccccc3)cc21
InChIInChI=1S/C15H14N2O4S/c18-15-14-8-13(7-6-12(14)10-21-15)17-22(19,20)16-9-11-4-2-1-3-5-11/h1-8,16-17H,9-10H2
InChIKeyMNKCDCNZMSXXJD-UHFFFAOYSA-N
XLogP1.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-oxo-1H-2-benzofuran-5-yl)methanesulfonamide
CID 738096
2-bromo-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide
CID 3264977
2-N,7-N-dibenzyl-9H-fluorene-2,7-disulfonamide
CID 1102995
6-(prop-2-ynylamino)-3H-2-benzofuran-1-one
CID 130617302
N-[(3-bromophenyl)methylsulfamoyl]aniline
CID 166696368
3-(3-methylphenyl)-2-[(3-oxo-1H-2-benzofuran-5-yl)amino]propanoic acid
CID 22645460
6-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride
CID 167718187
N-(methylsulfamoyl)-1-phenylmethanamine
CID 20676291
N-(benzylsulfamoyl)-4-(2-pyridin-2-ylethyl)aniline
CID 56883395
N-(3-oxo-1H-2-benzofuran-5-yl)pyridine-4-carboxamide
CID 571616
N-(benzylsulfamoyl)pyridin-2-amine
CID 154490525
6-chloro-3-[[(3-oxo-1H-2-benzofuran-5-yl)amino]methyl]-1H-quinolin-2-one
CID 122637068

Frequently Asked Questions

What is the IUPAC name of 6-(benzylsulfamoylamino)-3H-2-benzofuran-1-one?
The IUPAC name of 6-(benzylsulfamoylamino)-3H-2-benzofuran-1-one (CID 56861749) is 6-(benzylsulfamoylamino)-3H-2-benzofuran-1-one.
What is the SMILES notation for 6-(benzylsulfamoylamino)-3H-2-benzofuran-1-one?
The canonical SMILES for 6-(benzylsulfamoylamino)-3H-2-benzofuran-1-one is O=C1OCc2ccc(NS(=O)(=O)NCc3ccccc3)cc21.
What is the InChIKey of 6-(benzylsulfamoylamino)-3H-2-benzofuran-1-one?
The InChIKey is MNKCDCNZMSXXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c18-15-14-8-13(7-6-12(14)10-21-15)17-22(19,20)16-9-11-4-2-1-3-5-11/h1-8,16-17H,9-10H2.
What are the key properties of 6-(benzylsulfamoylamino)-3H-2-benzofuran-1-one?
6-(benzylsulfamoylamino)-3H-2-benzofuran-1-one has a molecular weight of 318.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylsulfamoylamino)-3H-2-benzofuran-1-one is sourced from PubChem (CID 56861749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).