N-(5-bromo-2,3-dihydro-1H-inden-2-yl)methanesulfonamide

C10H12BrNO2S — CID 70291277

IUPACN-(5-bromo-2,3-dihydro-1H-inden-2-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1Cc2ccc(Br)cc2C1
InChIInChI=1S/C10H12BrNO2S/c1-15(13,14)12-10-5-7-2-3-9(11)4-8(7)6-10/h2-4,10,12H,5-6H2,1H3
InChIKeyRMJOUACNFOAPAU-UHFFFAOYSA-N
MW290.18 g/mol
LogP1.47
Rot. Bonds2

About N-(5-bromo-2,3-dihydro-1H-inden-2-yl)methanesulfonamide

N-(5-bromo-2,3-dihydro-1H-inden-2-yl)methanesulfonamide (PubChem CID 70291277) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is N-(5-bromo-2,3-dihydro-1H-inden-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2,3-dihydro-1H-inden-2-yl)methanesulfonamide
PubChem CID70291277
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC NameN-(5-bromo-2,3-dihydro-1H-inden-2-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1Cc2ccc(Br)cc2C1
InChIInChI=1S/C10H12BrNO2S/c1-15(13,14)12-10-5-7-2-3-9(11)4-8(7)6-10/h2-4,10,12H,5-6H2,1H3
InChIKeyRMJOUACNFOAPAU-UHFFFAOYSA-N
XLogP1.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,3-dihydro-1H-inden-2-yl)methanesulfonamide?
The IUPAC name of N-(5-bromo-2,3-dihydro-1H-inden-2-yl)methanesulfonamide (CID 70291277) is N-(5-bromo-2,3-dihydro-1H-inden-2-yl)methanesulfonamide.
What is the SMILES notation for N-(5-bromo-2,3-dihydro-1H-inden-2-yl)methanesulfonamide?
The canonical SMILES for N-(5-bromo-2,3-dihydro-1H-inden-2-yl)methanesulfonamide is CS(=O)(=O)NC1Cc2ccc(Br)cc2C1.
What is the InChIKey of N-(5-bromo-2,3-dihydro-1H-inden-2-yl)methanesulfonamide?
The InChIKey is RMJOUACNFOAPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-15(13,14)12-10-5-7-2-3-9(11)4-8(7)6-10/h2-4,10,12H,5-6H2,1H3.
What are the key properties of N-(5-bromo-2,3-dihydro-1H-inden-2-yl)methanesulfonamide?
N-(5-bromo-2,3-dihydro-1H-inden-2-yl)methanesulfonamide has a molecular weight of 290.18 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,3-dihydro-1H-inden-2-yl)methanesulfonamide is sourced from PubChem (CID 70291277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).