N-(3-oxospiro[1-benzofuran-2,1'-cyclopropane]-5-yl)methanesulfonamide

C11H11NO4S — CID 3055476

IUPACN-(3-oxospiro[1-benzofuran-2,1'-cyclopropane]-5-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)C(=O)C1(CC1)O2
InChIInChI=1S/C11H11NO4S/c1-17(14,15)12-7-2-3-9-8(6-7)10(13)11(16-9)4-5-11/h2-3,6,12H,4-5H2,1H3
InChIKeyJSEIUMAKQOLRGQ-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.17
Rot. Bonds2

About N-(3-oxospiro[1-benzofuran-2,1'-cyclopropane]-5-yl)methanesulfonamide

N-(3-oxospiro[1-benzofuran-2,1'-cyclopropane]-5-yl)methanesulfonamide (PubChem CID 3055476) has the molecular formula C11H11NO4S and a molecular weight of 253.28 g/mol. Its IUPAC name is N-(3-oxospiro[1-benzofuran-2,1'-cyclopropane]-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-oxospiro[1-benzofuran-2,1'-cyclopropane]-5-yl)methanesulfonamide
PubChem CID3055476
Molecular FormulaC11H11NO4S
Molecular Weight253.28 g/mol
Exact Mass253.04
IUPAC NameN-(3-oxospiro[1-benzofuran-2,1'-cyclopropane]-5-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)C(=O)C1(CC1)O2
InChIInChI=1S/C11H11NO4S/c1-17(14,15)12-7-2-3-9-8(6-7)10(13)11(16-9)4-5-11/h2-3,6,12H,4-5H2,1H3
InChIKeyJSEIUMAKQOLRGQ-UHFFFAOYSA-N
XLogP1.17
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
CID 2788662
N-(1'-hexyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)methanesulfonamide
CID 19045333
N-(3-oxo-1H-2-benzofuran-5-yl)methanesulfonamide
CID 738096
N-[6-(methanesulfonamido)-3-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]acetamide
CID 19045507
5-propanoylspiro[1-benzofuran-2,1'-cyclopropane]-3-one
CID 12926044
N-[1'-[2-(4-acetylphenyl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide
CID 19045542
N-[1'-[2-(2,1,3-benzothiadiazol-5-yl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride
CID 19045495
N-[1'-[2-(2,1,3-benzoxadiazol-5-yloxy)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide
CID 19045454
N-[1'-[(2R)-6-amino-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;dihydrochloride
CID 67705289
N-[1'-[2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)ethylamino]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide
CID 19045558
N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)methanesulfonamide
CID 14985976
N-[4-hydroxyimino-1'-(2-phenylethyl)spiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide
CID 86746769

Frequently Asked Questions

What is the IUPAC name of N-(3-oxospiro[1-benzofuran-2,1'-cyclopropane]-5-yl)methanesulfonamide?
The IUPAC name of N-(3-oxospiro[1-benzofuran-2,1'-cyclopropane]-5-yl)methanesulfonamide (CID 3055476) is N-(3-oxospiro[1-benzofuran-2,1'-cyclopropane]-5-yl)methanesulfonamide.
What is the SMILES notation for N-(3-oxospiro[1-benzofuran-2,1'-cyclopropane]-5-yl)methanesulfonamide?
The canonical SMILES for N-(3-oxospiro[1-benzofuran-2,1'-cyclopropane]-5-yl)methanesulfonamide is CS(=O)(=O)Nc1ccc2c(c1)C(=O)C1(CC1)O2.
What is the InChIKey of N-(3-oxospiro[1-benzofuran-2,1'-cyclopropane]-5-yl)methanesulfonamide?
The InChIKey is JSEIUMAKQOLRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4S/c1-17(14,15)12-7-2-3-9-8(6-7)10(13)11(16-9)4-5-11/h2-3,6,12H,4-5H2,1H3.
What are the key properties of N-(3-oxospiro[1-benzofuran-2,1'-cyclopropane]-5-yl)methanesulfonamide?
N-(3-oxospiro[1-benzofuran-2,1'-cyclopropane]-5-yl)methanesulfonamide has a molecular weight of 253.28 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxospiro[1-benzofuran-2,1'-cyclopropane]-5-yl)methanesulfonamide is sourced from PubChem (CID 3055476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).