N-(3-chloroquinoxalin-2-yl)-4-(4-fluoropiperidine-1-carbonyl)benzenesulfonamide

C20H18ClFN4O3S — CID 59353060

IUPACN-(3-chloroquinoxalin-2-yl)-4-(4-fluoropiperidine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)cc1)N1CCC(F)CC1
InChIInChI=1S/C20H18ClFN4O3S/c21-18-19(24-17-4-2-1-3-16(17)23-18)25-30(28,29)15-7-5-13(6-8-15)20(27)26-11-9-14(22)10-12-26/h1-8,14H,9-12H2,(H,24,25)
InChIKeyABQPBGQXIZFLLA-UHFFFAOYSA-N
MW448.91 g/mol
LogP3.66
Rot. Bonds4

About N-(3-chloroquinoxalin-2-yl)-4-(4-fluoropiperidine-1-carbonyl)benzenesulfonamide

N-(3-chloroquinoxalin-2-yl)-4-(4-fluoropiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 59353060) has the molecular formula C20H18ClFN4O3S and a molecular weight of 448.91 g/mol. Its IUPAC name is N-(3-chloroquinoxalin-2-yl)-4-(4-fluoropiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloroquinoxalin-2-yl)-4-(4-fluoropiperidine-1-carbonyl)benzenesulfonamide
PubChem CID59353060
Molecular FormulaC20H18ClFN4O3S
Molecular Weight448.91 g/mol
Exact Mass448.08
IUPAC NameN-(3-chloroquinoxalin-2-yl)-4-(4-fluoropiperidine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)cc1)N1CCC(F)CC1
InChIInChI=1S/C20H18ClFN4O3S/c21-18-19(24-17-4-2-1-3-16(17)23-18)25-30(28,29)15-7-5-13(6-8-15)20(27)26-11-9-14(22)10-12-26/h1-8,14H,9-12H2,(H,24,25)
InChIKeyABQPBGQXIZFLLA-UHFFFAOYSA-N
XLogP3.66
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.91
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloroquinoxalin-2-yl)-4-(4-fluoropiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(3-chloroquinoxalin-2-yl)-4-(4-fluoropiperidine-1-carbonyl)benzenesulfonamide (CID 59353060) is N-(3-chloroquinoxalin-2-yl)-4-(4-fluoropiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(3-chloroquinoxalin-2-yl)-4-(4-fluoropiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(3-chloroquinoxalin-2-yl)-4-(4-fluoropiperidine-1-carbonyl)benzenesulfonamide is O=C(c1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)cc1)N1CCC(F)CC1.
What is the InChIKey of N-(3-chloroquinoxalin-2-yl)-4-(4-fluoropiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is ABQPBGQXIZFLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O3S/c21-18-19(24-17-4-2-1-3-16(17)23-18)25-30(28,29)15-7-5-13(6-8-15)20(27)26-11-9-14(22)10-12-26/h1-8,14H,9-12H2,(H,24,25).
What are the key properties of N-(3-chloroquinoxalin-2-yl)-4-(4-fluoropiperidine-1-carbonyl)benzenesulfonamide?
N-(3-chloroquinoxalin-2-yl)-4-(4-fluoropiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 448.91 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloroquinoxalin-2-yl)-4-(4-fluoropiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 59353060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).