N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

C15H14BrNO3S — CID 46807417

IUPACN-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H14BrNO3S/c1-10-8-12(16)2-4-14(10)17-21(18,19)13-3-5-15-11(9-13)6-7-20-15/h2-5,8-9,17H,6-7H2,1H3
InChIKeyDEVRIHILYLHHDC-UHFFFAOYSA-N
MW368.25 g/mol
LogP3.49
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 46807417) has the molecular formula C15H14BrNO3S and a molecular weight of 368.25 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID46807417
Molecular FormulaC15H14BrNO3S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC NameN-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H14BrNO3S/c1-10-8-12(16)2-4-14(10)17-21(18,19)13-3-5-15-11(9-13)6-7-20-15/h2-5,8-9,17H,6-7H2,1H3
InChIKeyDEVRIHILYLHHDC-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 44623892
N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 115631156
N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 110344403
N-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807428
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
N-(5-amino-2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 43604962
N-(5-bromopyrazin-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 115733543
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122356397
N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705681
N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51072921
N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 110760967
N-(2,5-diethoxyphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807478

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 46807417) is N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is Cc1cc(Br)ccc1NS(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is DEVRIHILYLHHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3S/c1-10-8-12(16)2-4-14(10)17-21(18,19)13-3-5-15-11(9-13)6-7-20-15/h2-5,8-9,17H,6-7H2,1H3.
What are the key properties of N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 368.25 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 46807417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).