2,5-dibromo-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide

C14H15Br2NO3S — CID 60652421

IUPAC2,5-dibromo-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide
SMILESCC(CCc1ccco1)NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C14H15Br2NO3S/c1-10(4-6-12-3-2-8-20-12)17-21(18,19)14-9-11(15)5-7-13(14)16/h2-3,5,7-10,17H,4,6H2,1H3
InChIKeyCHMOMKZNWVDAQN-UHFFFAOYSA-N
MW437.15 g/mol
LogP4.10
Rot. Bonds6

About 2,5-dibromo-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide

2,5-dibromo-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide (PubChem CID 60652421) has the molecular formula C14H15Br2NO3S and a molecular weight of 437.15 g/mol. Its IUPAC name is 2,5-dibromo-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide
PubChem CID60652421
Molecular FormulaC14H15Br2NO3S
Molecular Weight437.15 g/mol
Exact Mass434.91
IUPAC Name2,5-dibromo-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide
SMILESCC(CCc1ccco1)NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C14H15Br2NO3S/c1-10(4-6-12-3-2-8-20-12)17-21(18,19)14-9-11(15)5-7-13(14)16/h2-3,5,7-10,17H,4,6H2,1H3
InChIKeyCHMOMKZNWVDAQN-UHFFFAOYSA-N
XLogP4.10
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.15
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-methoxybenzenesulfonamide
CID 39949050
4-bromo-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 116528376
4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide
CID 65482008
2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82950147
N-[4-(furan-2-yl)butan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61248919
N-[(1R)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81382381
N-[(1S)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81381164
2-chloro-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazole-5-sulfonamide
CID 61251576
N-[(2R)-4-(furan-2-yl)butan-2-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7354301
3-amino-N-[4-(furan-2-yl)butan-2-yl]propane-1-sulfonamide
CID 54967741
N-[4-(furan-2-yl)butan-2-yl]-3-hydrazinylpyridine-2-sulfonamide
CID 103301188
2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
CID 63420635

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide (CID 60652421) is 2,5-dibromo-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide is CC(CCc1ccco1)NS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide?
The InChIKey is CHMOMKZNWVDAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NO3S/c1-10(4-6-12-3-2-8-20-12)17-21(18,19)14-9-11(15)5-7-13(14)16/h2-3,5,7-10,17H,4,6H2,1H3.
What are the key properties of 2,5-dibromo-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide?
2,5-dibromo-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide has a molecular weight of 437.15 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide is sourced from PubChem (CID 60652421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).