4-chloro-N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide

C19H15ClN4O3S — CID 663095

IUPAC4-chloro-N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1NCc1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN4O3S/c20-13-7-9-15(10-8-13)28(25,26)24-19-18(21-12-14-4-3-11-27-14)22-16-5-1-2-6-17(16)23-19/h1-11H,12H2,(H,21,22)(H,23,24)
InChIKeyYYMKVZDPEVQRDY-UHFFFAOYSA-N
MW414.87 g/mol
LogP4.29
Rot. Bonds6

About 4-chloro-N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide

4-chloro-N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 663095) has the molecular formula C19H15ClN4O3S and a molecular weight of 414.87 g/mol. Its IUPAC name is 4-chloro-N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID663095
Molecular FormulaC19H15ClN4O3S
Molecular Weight414.87 g/mol
Exact Mass414.06
IUPAC Name4-chloro-N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1NCc1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN4O3S/c20-13-7-9-15(10-8-13)28(25,26)24-19-18(21-12-14-4-3-11-27-14)22-16-5-1-2-6-17(16)23-19/h1-11H,12H2,(H,21,22)(H,23,24)
InChIKeyYYMKVZDPEVQRDY-UHFFFAOYSA-N
XLogP4.29
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide (CID 663095) is 4-chloro-N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1NCc1ccco1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is YYMKVZDPEVQRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3S/c20-13-7-9-15(10-8-13)28(25,26)24-19-18(21-12-14-4-3-11-27-14)22-16-5-1-2-6-17(16)23-19/h1-11H,12H2,(H,21,22)(H,23,24).
What are the key properties of 4-chloro-N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide?
4-chloro-N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 414.87 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 663095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).