N-(3-chloroquinoxalin-2-yl)naphthalene-2-sulfonamide

C18H12ClN3O2S — CID 2405538

IUPACN-(3-chloroquinoxalin-2-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C18H12ClN3O2S/c19-17-18(21-16-8-4-3-7-15(16)20-17)22-25(23,24)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,21,22)
InChIKeySGXPMUXCSGOXQW-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.24
Rot. Bonds3

About N-(3-chloroquinoxalin-2-yl)naphthalene-2-sulfonamide

N-(3-chloroquinoxalin-2-yl)naphthalene-2-sulfonamide (PubChem CID 2405538) has the molecular formula C18H12ClN3O2S and a molecular weight of 369.83 g/mol. Its IUPAC name is N-(3-chloroquinoxalin-2-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloroquinoxalin-2-yl)naphthalene-2-sulfonamide
PubChem CID2405538
Molecular FormulaC18H12ClN3O2S
Molecular Weight369.83 g/mol
Exact Mass369.03
IUPAC NameN-(3-chloroquinoxalin-2-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C18H12ClN3O2S/c19-17-18(21-16-8-4-3-7-15(16)20-17)22-25(23,24)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,21,22)
InChIKeySGXPMUXCSGOXQW-UHFFFAOYSA-N
XLogP4.24
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloroquinoxalin-2-yl)naphthalene-2-sulfonamide?
The IUPAC name of N-(3-chloroquinoxalin-2-yl)naphthalene-2-sulfonamide (CID 2405538) is N-(3-chloroquinoxalin-2-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(3-chloroquinoxalin-2-yl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(3-chloroquinoxalin-2-yl)naphthalene-2-sulfonamide is O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc2ccccc2c1.
What is the InChIKey of N-(3-chloroquinoxalin-2-yl)naphthalene-2-sulfonamide?
The InChIKey is SGXPMUXCSGOXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2S/c19-17-18(21-16-8-4-3-7-15(16)20-17)22-25(23,24)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,21,22).
What are the key properties of N-(3-chloroquinoxalin-2-yl)naphthalene-2-sulfonamide?
N-(3-chloroquinoxalin-2-yl)naphthalene-2-sulfonamide has a molecular weight of 369.83 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloroquinoxalin-2-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 2405538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).