3-bromo-N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-methoxybenzenesulfonamide

C15H18BrNO4S — CID 39949050

IUPAC3-bromo-N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)CCc2ccco2)cc1Br
InChIInChI=1S/C15H18BrNO4S/c1-11(5-6-12-4-3-9-21-12)17-22(18,19)13-7-8-15(20-2)14(16)10-13/h3-4,7-11,17H,5-6H2,1-2H3/t11-/m1/s1
InChIKeyKSPQLBWOADYHSM-LLVKDONJSA-N
MW388.28 g/mol
LogP3.35
Rot. Bonds7

About 3-bromo-N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-methoxybenzenesulfonamide

3-bromo-N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-methoxybenzenesulfonamide (PubChem CID 39949050) has the molecular formula C15H18BrNO4S and a molecular weight of 388.28 g/mol. Its IUPAC name is 3-bromo-N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-methoxybenzenesulfonamide
PubChem CID39949050
Molecular FormulaC15H18BrNO4S
Molecular Weight388.28 g/mol
Exact Mass387.01
IUPAC Name3-bromo-N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)CCc2ccco2)cc1Br
InChIInChI=1S/C15H18BrNO4S/c1-11(5-6-12-4-3-9-21-12)17-22(18,19)13-7-8-15(20-2)14(16)10-13/h3-4,7-11,17H,5-6H2,1-2H3/t11-/m1/s1
InChIKeyKSPQLBWOADYHSM-LLVKDONJSA-N
XLogP3.35
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide
CID 65482008
2,5-dibromo-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide
CID 60652421
N-[4-(furan-2-yl)butan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61248919
N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8801198
1-(3-bromo-4-methoxyphenyl)-4-(furan-2-yl)butan-2-ol
CID 105082155
3-bromo-4-methoxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 30964155
4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide
CID 9181822
methyl 2-[2-bromo-4-[2-(furan-2-yl)ethylsulfamoyl]phenoxy]acetate
CID 100814264
(2R)-N-(furan-2-ylmethyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 93480656
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 8817788
N-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline
CID 43478801
methyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate
CID 55029414

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-bromo-N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-methoxybenzenesulfonamide (CID 39949050) is 3-bromo-N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N[C@H](C)CCc2ccco2)cc1Br.
What is the InChIKey of 3-bromo-N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-methoxybenzenesulfonamide?
The InChIKey is KSPQLBWOADYHSM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18BrNO4S/c1-11(5-6-12-4-3-9-21-12)17-22(18,19)13-7-8-15(20-2)14(16)10-13/h3-4,7-11,17H,5-6H2,1-2H3/t11-/m1/s1.
What are the key properties of 3-bromo-N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-methoxybenzenesulfonamide?
3-bromo-N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-methoxybenzenesulfonamide has a molecular weight of 388.28 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 39949050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).