N-[3-chloro-4-(3-chlorophenyl)phenyl]-7-fluoro-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

C20H12Cl2FN3O4S — CID 172503328

IUPACN-[3-chloro-4-(3-chlorophenyl)phenyl]-7-fluoro-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESO=c1[nH]c2cc(F)c(S(=O)(=O)Nc3ccc(-c4cccc(Cl)c4)c(Cl)c3)cc2[nH]c1=O
InChIInChI=1S/C20H12Cl2FN3O4S/c21-11-3-1-2-10(6-11)13-5-4-12(7-14(13)22)26-31(29,30)18-9-17-16(8-15(18)23)24-19(27)20(28)25-17/h1-9,26H,(H,24,27)(H,25,28)
InChIKeyRILDSGQXDRJXHT-UHFFFAOYSA-N
MW480.30 g/mol
LogP4.13
Rot. Bonds4

About N-[3-chloro-4-(3-chlorophenyl)phenyl]-7-fluoro-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

N-[3-chloro-4-(3-chlorophenyl)phenyl]-7-fluoro-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (PubChem CID 172503328) has the molecular formula C20H12Cl2FN3O4S and a molecular weight of 480.30 g/mol. Its IUPAC name is N-[3-chloro-4-(3-chlorophenyl)phenyl]-7-fluoro-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-(3-chlorophenyl)phenyl]-7-fluoro-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
PubChem CID172503328
Molecular FormulaC20H12Cl2FN3O4S
Molecular Weight480.30 g/mol
Exact Mass478.99
IUPAC NameN-[3-chloro-4-(3-chlorophenyl)phenyl]-7-fluoro-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESO=c1[nH]c2cc(F)c(S(=O)(=O)Nc3ccc(-c4cccc(Cl)c4)c(Cl)c3)cc2[nH]c1=O
InChIInChI=1S/C20H12Cl2FN3O4S/c21-11-3-1-2-10(6-11)13-5-4-12(7-14(13)22)26-31(29,30)18-9-17-16(8-15(18)23)24-19(27)20(28)25-17/h1-9,26H,(H,24,27)(H,25,28)
InChIKeyRILDSGQXDRJXHT-UHFFFAOYSA-N
XLogP4.13
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.30
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-chloro-4-(3-pyrrolidin-1-ylphenyl)phenyl]-7-fluoro-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 167306605
N-[3-chloro-4-(3-chlorophenyl)phenyl]-2,3-dioxo-7-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide
CID 172503377
7-fluoro-N-(3-methyl-4-phenylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 166464347
N-[4-[3-(azetidin-1-yl)phenyl]-3-chlorophenyl]-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 172503347
N-(3-chloro-4-thiophen-3-ylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 166464278
N-[3-chloro-4-(4-methylsulfonylphenyl)phenyl]-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 167306384
N-[3-chloro-4-(2-fluoro-4-methylsulfonylphenyl)phenyl]-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 176883710
N-[4-(2H-benzotriazol-5-yl)-3-chlorophenyl]-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 176883734
N-[3-chloro-4-(2-methyl-3H-benzimidazol-5-yl)phenyl]-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 166464103
N-[3-chloro-4-(2-methylquinolin-6-yl)phenyl]-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 167306517
N-[3-chloro-4-[2-(hydroxymethyl)phenyl]phenyl]-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 167306637
N-[4-(2-chlorophenyl)phenyl]-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 172503383

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(3-chlorophenyl)phenyl]-7-fluoro-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The IUPAC name of N-[3-chloro-4-(3-chlorophenyl)phenyl]-7-fluoro-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (CID 172503328) is N-[3-chloro-4-(3-chlorophenyl)phenyl]-7-fluoro-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.
What is the SMILES notation for N-[3-chloro-4-(3-chlorophenyl)phenyl]-7-fluoro-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The canonical SMILES for N-[3-chloro-4-(3-chlorophenyl)phenyl]-7-fluoro-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is O=c1[nH]c2cc(F)c(S(=O)(=O)Nc3ccc(-c4cccc(Cl)c4)c(Cl)c3)cc2[nH]c1=O.
What is the InChIKey of N-[3-chloro-4-(3-chlorophenyl)phenyl]-7-fluoro-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The InChIKey is RILDSGQXDRJXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2FN3O4S/c21-11-3-1-2-10(6-11)13-5-4-12(7-14(13)22)26-31(29,30)18-9-17-16(8-15(18)23)24-19(27)20(28)25-17/h1-9,26H,(H,24,27)(H,25,28).
What are the key properties of N-[3-chloro-4-(3-chlorophenyl)phenyl]-7-fluoro-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
N-[3-chloro-4-(3-chlorophenyl)phenyl]-7-fluoro-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide has a molecular weight of 480.30 g/mol, XLogP of 4.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(3-chlorophenyl)phenyl]-7-fluoro-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is sourced from PubChem (CID 172503328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).