N-[2-fluoro-3-(quinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide

C18H16FN3O3S — CID 71537906

IUPACN-[2-fluoro-3-(quinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)c2ccc3nccnc3c2)c1F
InChIInChI=1S/C18H16FN3O3S/c1-2-10-26(24,25)22-15-5-3-4-13(17(15)19)18(23)12-6-7-14-16(11-12)21-9-8-20-14/h3-9,11,22H,2,10H2,1H3
InChIKeyAETWDWWOQINTGK-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.15
Rot. Bonds6

About N-[2-fluoro-3-(quinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide

N-[2-fluoro-3-(quinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide (PubChem CID 71537906) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[2-fluoro-3-(quinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-3-(quinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
PubChem CID71537906
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC NameN-[2-fluoro-3-(quinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)c2ccc3nccnc3c2)c1F
InChIInChI=1S/C18H16FN3O3S/c1-2-10-26(24,25)22-15-5-3-4-13(17(15)19)18(23)12-6-7-14-16(11-12)21-9-8-20-14/h3-9,11,22H,2,10H2,1H3
InChIKeyAETWDWWOQINTGK-UHFFFAOYSA-N
XLogP3.15
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
CID 71534785
N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2-fluorophenyl]propane-1-sulfonamide
CID 146277606
N-[2,4-difluoro-3-(quinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide;methoxyethane;N-methoxy-N-methylquinoxaline-6-carboxamide;quinoxaline-6-carboxylic acid
CID 158090082
N-[3-(1,3-benzoxazole-6-carbonyl)-4,5-difluorophenyl]propane-1-sulfonamide
CID 118341096
N-[2-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
CID 58251990
N-[2,4,5-trifluoro-3-[3-[3-(hydroxymethyl)morpholin-2-yl]quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
CID 174843875
N-[2-chloro-4,5-difluoro-3-[3-(2-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
CID 71506586
N-[2-chloro-4,5-difluoro-3-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
CID 71506587
N-[2,4-difluoro-3-[3-(4-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
CID 71268652
N-[3,4-difluoro-5-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
CID 71268676
(5-amino-2-fluorophenyl)-quinoxalin-6-ylmethanone;N-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]-N-propylsulfonylpropane-1-sulfonamide;methane;propane-1-sulfonyl chloride
CID 158921229
N-[2-fluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
CID 58227803

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-(quinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2-fluoro-3-(quinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide (CID 71537906) is N-[2-fluoro-3-(quinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-fluoro-3-(quinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-fluoro-3-(quinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(C(=O)c2ccc3nccnc3c2)c1F.
What is the InChIKey of N-[2-fluoro-3-(quinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide?
The InChIKey is AETWDWWOQINTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-2-10-26(24,25)22-15-5-3-4-13(17(15)19)18(23)12-6-7-14-16(11-12)21-9-8-20-14/h3-9,11,22H,2,10H2,1H3.
What are the key properties of N-[2-fluoro-3-(quinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide?
N-[2-fluoro-3-(quinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide has a molecular weight of 373.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-(quinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 71537906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).