5-(5-amino-6-propanoylpyrazin-2-yl)-2-chloro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide

C20H18ClFN4O3S — CID 146691024

IUPAC5-(5-amino-6-propanoylpyrazin-2-yl)-2-chloro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide
SMILESCCC(=O)c1nc(-c2ccc(Cl)c(S(=O)(=O)Nc3cccc(F)c3C)c2)cnc1N
InChIInChI=1S/C20H18ClFN4O3S/c1-3-17(27)19-20(23)24-10-16(25-19)12-7-8-13(21)18(9-12)30(28,29)26-15-6-4-5-14(22)11(15)2/h4-10,26H,3H2,1-2H3,(H2,23,24)
InChIKeyQGBPKCDTGVXZDM-UHFFFAOYSA-N
MW448.91 g/mol
LogP4.22
Rot. Bonds6

About 5-(5-amino-6-propanoylpyrazin-2-yl)-2-chloro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide

5-(5-amino-6-propanoylpyrazin-2-yl)-2-chloro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide (PubChem CID 146691024) has the molecular formula C20H18ClFN4O3S and a molecular weight of 448.91 g/mol. Its IUPAC name is 5-(5-amino-6-propanoylpyrazin-2-yl)-2-chloro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(5-amino-6-propanoylpyrazin-2-yl)-2-chloro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide
PubChem CID146691024
Molecular FormulaC20H18ClFN4O3S
Molecular Weight448.91 g/mol
Exact Mass448.08
IUPAC Name5-(5-amino-6-propanoylpyrazin-2-yl)-2-chloro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide
SMILESCCC(=O)c1nc(-c2ccc(Cl)c(S(=O)(=O)Nc3cccc(F)c3C)c2)cnc1N
InChIInChI=1S/C20H18ClFN4O3S/c1-3-17(27)19-20(23)24-10-16(25-19)12-7-8-13(21)18(9-12)30(28,29)26-15-6-4-5-14(22)11(15)2/h4-10,26H,3H2,1-2H3,(H2,23,24)
InChIKeyQGBPKCDTGVXZDM-UHFFFAOYSA-N
XLogP4.22
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.91
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(3-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 62158167
5-[5-amino-6-(1-pyridin-3-ylethenyl)pyrazin-2-yl]-2-chloro-N-(2-methoxyethyl)benzenesulfonamide
CID 143864591
3-[5-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
CID 175850288
5-amino-2-fluoro-N-(3-fluoro-2-methylphenyl)-3-methylbenzenesulfonamide
CID 80629184
6-amino-5-chloro-N-(3-chloro-2-methylphenyl)pyridine-3-sulfonamide
CID 64606596
6-amino-5-chloro-N-(2,3-difluorophenyl)pyridine-3-sulfonamide
CID 64600885
2-[(2,5-dichlorophenyl)sulfonylamino]-6-fluorobenzoic acid
CID 51116002
5-amino-2-chloro-N-(2-ethylphenyl)-4-fluorobenzenesulfonamide
CID 61112458
N-[3-(2-aminoquinazolin-5-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide
CID 156833405
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide
CID 156833222
2-amino-N-(2,3-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 62057436
2-amino-N-(3-fluoro-2-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171388

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-6-propanoylpyrazin-2-yl)-2-chloro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 5-(5-amino-6-propanoylpyrazin-2-yl)-2-chloro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide (CID 146691024) is 5-(5-amino-6-propanoylpyrazin-2-yl)-2-chloro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-(5-amino-6-propanoylpyrazin-2-yl)-2-chloro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 5-(5-amino-6-propanoylpyrazin-2-yl)-2-chloro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide is CCC(=O)c1nc(-c2ccc(Cl)c(S(=O)(=O)Nc3cccc(F)c3C)c2)cnc1N.
What is the InChIKey of 5-(5-amino-6-propanoylpyrazin-2-yl)-2-chloro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide?
The InChIKey is QGBPKCDTGVXZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O3S/c1-3-17(27)19-20(23)24-10-16(25-19)12-7-8-13(21)18(9-12)30(28,29)26-15-6-4-5-14(22)11(15)2/h4-10,26H,3H2,1-2H3,(H2,23,24).
What are the key properties of 5-(5-amino-6-propanoylpyrazin-2-yl)-2-chloro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide?
5-(5-amino-6-propanoylpyrazin-2-yl)-2-chloro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide has a molecular weight of 448.91 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-6-propanoylpyrazin-2-yl)-2-chloro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 146691024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).