2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-methylbenzenesulfonamide

C15H14BrNO3S — CID 62066677

IUPAC2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2COc3ccccc32)c(Br)c1
InChIInChI=1S/C15H14BrNO3S/c1-10-6-7-15(12(16)8-10)21(18,19)17-13-9-20-14-5-3-2-4-11(13)14/h2-8,13,17H,9H2,1H3
InChIKeySESRQMQBSOUECB-UHFFFAOYSA-N
MW368.25 g/mol
LogP3.17
Rot. Bonds3

About 2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-methylbenzenesulfonamide

2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-methylbenzenesulfonamide (PubChem CID 62066677) has the molecular formula C15H14BrNO3S and a molecular weight of 368.25 g/mol. Its IUPAC name is 2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-methylbenzenesulfonamide
PubChem CID62066677
Molecular FormulaC15H14BrNO3S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC Name2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2COc3ccccc32)c(Br)c1
InChIInChI=1S/C15H14BrNO3S/c1-10-6-7-15(12(16)8-10)21(18,19)17-13-9-20-14-5-3-2-4-11(13)14/h2-8,13,17H,9H2,1H3
InChIKeySESRQMQBSOUECB-UHFFFAOYSA-N
XLogP3.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)benzenesulfonamide
CID 110751703
N-(2,3-dihydro-1-benzofuran-3-yl)ethanesulfonamide
CID 62065932
3-(dimethylsulfamoylamino)-2,3-dihydro-1-benzofuran
CID 110751655
N-(2,3-dihydro-1-benzofuran-3-yl)propane-2-sulfonamide
CID 62066112
2-bromo-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 43417293
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-methylbenzenesulfonamide
CID 43597330
5,6-dichloro-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-sulfonamide
CID 64608045
N-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 42960718
2-bromo-4-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 55204708
(3S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-2,3-dihydro-1-benzofuran
CID 95592046
N-(2,3-dihydro-1-benzofuran-3-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110751697
2-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 115622947

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-methylbenzenesulfonamide (CID 62066677) is 2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2COc3ccccc32)c(Br)c1.
What is the InChIKey of 2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-methylbenzenesulfonamide?
The InChIKey is SESRQMQBSOUECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3S/c1-10-6-7-15(12(16)8-10)21(18,19)17-13-9-20-14-5-3-2-4-11(13)14/h2-8,13,17H,9H2,1H3.
What are the key properties of 2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-methylbenzenesulfonamide?
2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-methylbenzenesulfonamide has a molecular weight of 368.25 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 62066677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).