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

C15H14BrNO2S — CID 5019685

IUPAC3-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CCC2)c1cccc(Br)c1
InChIInChI=1S/C15H14BrNO2S/c16-13-5-2-6-15(10-13)20(18,19)17-14-8-7-11-3-1-4-12(11)9-14/h2,5-10,17H,1,3-4H2
InChIKeyNFKOVAKGAXGGRZ-UHFFFAOYSA-N
MW352.25 g/mol
LogP3.74
Rot. Bonds3

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

3-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide (PubChem CID 5019685) has the molecular formula C15H14BrNO2S and a molecular weight of 352.25 g/mol. Its IUPAC name is 3-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide
PubChem CID5019685
Molecular FormulaC15H14BrNO2S
Molecular Weight352.25 g/mol
Exact Mass350.99
IUPAC Name3-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CCC2)c1cccc(Br)c1
InChIInChI=1S/C15H14BrNO2S/c16-13-5-2-6-15(10-13)20(18,19)17-14-8-7-11-3-1-4-12(11)9-14/h2,5-10,17H,1,3-4H2
InChIKeyNFKOVAKGAXGGRZ-UHFFFAOYSA-N
XLogP3.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(2,3-dihydro-1H-inden-5-yl)benzene-1,3-disulfonamide
CID 30286317
3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoate
CID 8001167
2-amino-4-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide
CID 43258379
3-bromo-N-naphthalen-2-ylbenzenesulfonamide
CID 7938660
3-bromo-N-(2,3-dihydro-1H-inden-5-yl)-4-methoxybenzenesulfonamide
CID 4816110
N-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide
CID 112838618
3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 3708859
N-[3-(bromomethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 114298978
3-bromo-N-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 165048628
3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 3833840
3-bromo-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 86939876
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzenesulfonamide
CID 5019779

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide (CID 5019685) is 3-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)CCC2)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide?
The InChIKey is NFKOVAKGAXGGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2S/c16-13-5-2-6-15(10-13)20(18,19)17-14-8-7-11-3-1-4-12(11)9-14/h2,5-10,17H,1,3-4H2.
What are the key properties of 3-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide?
3-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide has a molecular weight of 352.25 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide is sourced from PubChem (CID 5019685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).