2-bromo-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide

C16H14BrNO4S2 — CID 121133577

IUPAC2-bromo-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(C(O)c2ccco2)s1)c1ccccc1Br
InChIInChI=1S/C16H14BrNO4S2/c17-12-4-1-2-6-15(12)24(20,21)18-10-11-7-8-14(23-11)16(19)13-5-3-9-22-13/h1-9,16,18-19H,10H2
InChIKeyQUJFHHWNJMQSMQ-UHFFFAOYSA-N
MW428.33 g/mol
LogP3.66
Rot. Bonds6

About 2-bromo-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide

2-bromo-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide (PubChem CID 121133577) has the molecular formula C16H14BrNO4S2 and a molecular weight of 428.33 g/mol. Its IUPAC name is 2-bromo-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide
PubChem CID121133577
Molecular FormulaC16H14BrNO4S2
Molecular Weight428.33 g/mol
Exact Mass426.95
IUPAC Name2-bromo-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(C(O)c2ccco2)s1)c1ccccc1Br
InChIInChI=1S/C16H14BrNO4S2/c17-12-4-1-2-6-15(12)24(20,21)18-10-11-7-8-14(23-11)16(19)13-5-3-9-22-13/h1-9,16,18-19H,10H2
InChIKeyQUJFHHWNJMQSMQ-UHFFFAOYSA-N
XLogP3.66
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.33
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide (CID 121133577) is 2-bromo-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(C(O)c2ccco2)s1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
The InChIKey is QUJFHHWNJMQSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO4S2/c17-12-4-1-2-6-15(12)24(20,21)18-10-11-7-8-14(23-11)16(19)13-5-3-9-22-13/h1-9,16,18-19H,10H2.
What are the key properties of 2-bromo-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
2-bromo-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide has a molecular weight of 428.33 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 121133577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).