5-[(4-bromophenyl)sulfonylmethyl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide

C20H19BrN2O6S2 — CID 5123642

IUPAC5-[(4-bromophenyl)sulfonylmethyl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(CS(=O)(=O)c3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C20H19BrN2O6S2/c21-15-3-8-17(9-4-15)30(25,26)13-16-5-10-19(29-16)20(24)23-12-11-14-1-6-18(7-2-14)31(22,27)28/h1-10H,11-13H2,(H,23,24)(H2,22,27,28)
InChIKeyGCSWVNMQPDRRSR-UHFFFAOYSA-N
MW527.42 g/mol
LogP2.64
Rot. Bonds8

About 5-[(4-bromophenyl)sulfonylmethyl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide

5-[(4-bromophenyl)sulfonylmethyl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide (PubChem CID 5123642) has the molecular formula C20H19BrN2O6S2 and a molecular weight of 527.42 g/mol. Its IUPAC name is 5-[(4-bromophenyl)sulfonylmethyl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromophenyl)sulfonylmethyl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
PubChem CID5123642
Molecular FormulaC20H19BrN2O6S2
Molecular Weight527.42 g/mol
Exact Mass525.99
IUPAC Name5-[(4-bromophenyl)sulfonylmethyl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(CS(=O)(=O)c3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C20H19BrN2O6S2/c21-15-3-8-17(9-4-15)30(25,26)13-16-5-10-19(29-16)20(24)23-12-11-14-1-6-18(7-2-14)31(22,27)28/h1-10H,11-13H2,(H,23,24)(H2,22,27,28)
InChIKeyGCSWVNMQPDRRSR-UHFFFAOYSA-N
XLogP2.64
TPSA136.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)sulfonylmethyl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-bromophenyl)sulfonylmethyl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide (CID 5123642) is 5-[(4-bromophenyl)sulfonylmethyl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromophenyl)sulfonylmethyl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromophenyl)sulfonylmethyl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(CS(=O)(=O)c3ccc(Br)cc3)o2)cc1.
What is the InChIKey of 5-[(4-bromophenyl)sulfonylmethyl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide?
The InChIKey is GCSWVNMQPDRRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O6S2/c21-15-3-8-17(9-4-15)30(25,26)13-16-5-10-19(29-16)20(24)23-12-11-14-1-6-18(7-2-14)31(22,27)28/h1-10H,11-13H2,(H,23,24)(H2,22,27,28).
What are the key properties of 5-[(4-bromophenyl)sulfonylmethyl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide?
5-[(4-bromophenyl)sulfonylmethyl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide has a molecular weight of 527.42 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)sulfonylmethyl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 5123642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).