N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide

C9H11NO2S — CID 130687139

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide
SMILESCS(=O)(=O)NC1Cc2ccccc21
InChIInChI=1S/C9H11NO2S/c1-13(11,12)10-9-6-7-4-2-3-5-8(7)9/h2-5,9-10H,6H2,1H3
InChIKeyIZWHJUDITJOPKJ-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.83
Rot. Bonds2

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide

N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide (PubChem CID 130687139) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide
PubChem CID130687139
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide
SMILESCS(=O)(=O)NC1Cc2ccccc21
InChIInChI=1S/C9H11NO2S/c1-13(11,12)10-9-6-7-4-2-3-5-8(7)9/h2-5,9-10H,6H2,1H3
InChIKeyIZWHJUDITJOPKJ-UHFFFAOYSA-N
XLogP0.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684490
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684497
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide
CID 71934404
N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 95318308
(1R)-2,3-dihydro-1H-inden-1-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;methanesulfonyl chloride
CID 157196656
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide
CID 2753031
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 94197081
3-(7-bicyclo[4.2.0]octa-1,3,5-trienylsulfamoyl)-2-fluoro-5-methylbenzoic acid
CID 146130073
N-prop-2-ynylbicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 130651955
N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)methanesulfonamide
CID 134123539
N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylmethanesulfonamide
CID 71920585

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide (CID 130687139) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide is CS(=O)(=O)NC1Cc2ccccc21.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide?
The InChIKey is IZWHJUDITJOPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-13(11,12)10-9-6-7-4-2-3-5-8(7)9/h2-5,9-10H,6H2,1H3.
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide has a molecular weight of 197.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide is sourced from PubChem (CID 130687139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).