N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide

C12H17NO2S — CID 71934404

IUPACN-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCCCc2ccccc21
InChIInChI=1S/C12H17NO2S/c1-16(14,15)13-12-9-5-3-7-10-6-2-4-8-11(10)12/h2,4,6,8,12-13H,3,5,7,9H2,1H3
InChIKeyJZKIXXFUPOYTAJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.00
Rot. Bonds2

About N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide

N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide (PubChem CID 71934404) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide
PubChem CID71934404
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCCCc2ccccc21
InChIInChI=1S/C12H17NO2S/c1-16(14,15)13-12-9-5-3-7-10-6-2-4-8-11(10)12/h2,4,6,8,12-13H,3,5,7,9H2,1H3
InChIKeyJZKIXXFUPOYTAJ-UHFFFAOYSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.00
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
(1R)-2,3-dihydro-1H-inden-1-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;methanesulfonyl chloride
CID 157196656
N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 17388085
1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
CID 45117542
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide
CID 130687139
sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate
CID 67463776
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
CID 123748338
N-(2-methyl-2-methylsulfonylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79552399
1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 92679624
2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 79578857
2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide
CID 95733764
N-cyclopentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43095434

Frequently Asked Questions

What is the IUPAC name of N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide?
The IUPAC name of N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide (CID 71934404) is N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide.
What is the SMILES notation for N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide?
The canonical SMILES for N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide is CS(=O)(=O)NC1CCCCc2ccccc21.
What is the InChIKey of N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide?
The InChIKey is JZKIXXFUPOYTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-16(14,15)13-12-9-5-3-7-10-6-2-4-8-11(10)12/h2,4,6,8,12-13H,3,5,7,9H2,1H3.
What are the key properties of N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide?
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide has a molecular weight of 239.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide is sourced from PubChem (CID 71934404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).