N-[2-chloro-4,5-difluoro-3-[3-(2-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide

C22H18ClF2N5O3S — CID 71506586

About N-[2-chloro-4,5-difluoro-3-[3-(2-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide

N-[2-chloro-4,5-difluoro-3-[3-(2-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide (PubChem CID 71506586) has the molecular formula C22H18ClF2N5O3S and a molecular weight of 505.93 g/mol. Its IUPAC name is N-[2-chloro-4,5-difluoro-3-[3-(2-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[2-chloro-4,5-difluoro-3-[3-(2-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
• PubChem CID: 71506586
• Molecular Formula: C22H18ClF2N5O3S
• Molecular Weight: 505.93 g/mol
• Exact Mass: 505.08
• IUPAC Name: N-[2-chloro-4,5-difluoro-3-[3-(2-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
• SMILES: CCCS(=O)(=O)Nc1cc(F)c(F)c(C(=O)c2ccc3ncc(-n4ccnc4C)nc3c2)c1Cl
• InChI: InChI=1S/C22H18ClF2N5O3S/c1-3-8-34(32,33)29-17-10-14(24)21(25)19(20(17)23)22(31)13-4-5-15-16(9-13)28-18(11-27-15)30-7-6-26-12(30)2/h4-7,9-11,29H,3,8H2,1-2H3
• InChIKey: RFCIZUWPVNVBDZ-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 106.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.93
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4,5-difluoro-3-[3-(2-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?

The IUPAC name of N-[2-chloro-4,5-difluoro-3-[3-(2-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide (CID 71506586) is N-[2-chloro-4,5-difluoro-3-[3-(2-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide.

What is the SMILES notation for N-[2-chloro-4,5-difluoro-3-[3-(2-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?

The canonical SMILES for N-[2-chloro-4,5-difluoro-3-[3-(2-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(F)c(F)c(C(=O)c2ccc3ncc(-n4ccnc4C)nc3c2)c1Cl.

What is the InChIKey of N-[2-chloro-4,5-difluoro-3-[3-(2-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?

The InChIKey is RFCIZUWPVNVBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF2N5O3S/c1-3-8-34(32,33)29-17-10-14(24)21(25)19(20(17)23)22(31)13-4-5-15-16(9-13)28-18(11-27-15)30-7-6-26-12(30)2/h4-7,9-11,29H,3,8H2,1-2H3.

What are the key properties of N-[2-chloro-4,5-difluoro-3-[3-(2-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?

N-[2-chloro-4,5-difluoro-3-[3-(2-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide has a molecular weight of 505.93 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-4,5-difluoro-3-[3-(2-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 71506586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).