2-[4-(5-amino-6-chloropyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide

C20H20ClFN4O2S — CID 90313241

IUPAC2-[4-(5-amino-6-chloropyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(Cl)n2)c(F)c1
InChIInChI=1S/C20H20ClFN4O2S/c1-20(2,3)26-29(27,28)17-7-5-4-6-13(17)12-8-9-14(15(22)10-12)16-11-24-19(23)18(21)25-16/h4-11,26H,1-3H3,(H2,23,24)
InChIKeyNXYCOYKBHPNPGU-UHFFFAOYSA-N
MW434.92 g/mol
LogP4.26
Rot. Bonds4

About 2-[4-(5-amino-6-chloropyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide

2-[4-(5-amino-6-chloropyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide (PubChem CID 90313241) has the molecular formula C20H20ClFN4O2S and a molecular weight of 434.92 g/mol. Its IUPAC name is 2-[4-(5-amino-6-chloropyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide.

Molecular Properties

Compound Name2-[4-(5-amino-6-chloropyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide
PubChem CID90313241
Molecular FormulaC20H20ClFN4O2S
Molecular Weight434.92 g/mol
Exact Mass434.10
IUPAC Name2-[4-(5-amino-6-chloropyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(Cl)n2)c(F)c1
InChIInChI=1S/C20H20ClFN4O2S/c1-20(2,3)26-29(27,28)17-7-5-4-6-13(17)12-8-9-14(15(22)10-12)16-11-24-19(23)18(21)25-16/h4-11,26H,1-3H3,(H2,23,24)
InChIKeyNXYCOYKBHPNPGU-UHFFFAOYSA-N
XLogP4.26
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.92
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-{[(4-Fluoro-phenyl)-methyl-amino]-methyl}-phenyl)-pyrazin-2-yl]-2-trifluoromethyl-benzenesulfonamide
CID 57444239
5-(4-Methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 71711842
4-[5-amino-6-[6-(trifluoromethyl)-3-pyridyl]pyrazin-2-yl]-N-methyl-benzenesulfonamide
CID 71711988
4'-(5-Aminopyrazin-2-yl)-3'-fluoro-[1,1'-biphenyl]-2-sulfonamide
CID 77050680
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 77844749
N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]benzenesulfonamide
CID 87570781
N-[5-(6-amino-3-pyridinyl)-2-methyl-3-pyridinyl]benzenesulfonamide
CID 141461664
5-{2'-[(3,3-Difluoropiperidin-1-yl)sulfonyl]-3-fluorobiphenyl-4-yl}pyrazin-2-amine
CID 77844190
(1-{[4'-(5-Aminopyrazin-2-yl)-3'-fluorobiphenyl-2-yl]sulfonyl}piperidin-4-yl)methanol
CID 77844324
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 77844455
4''-(5-Aminopyrazin-2-yl)-3''-fluoro-N-(3-hydroxy-1,1-dimethylpropyl)biphenyl-2-sulfonamide
CID 77844456
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(cyclopropylmethyl)benzenesulfonamide
CID 77844516

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-amino-6-chloropyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide?
The IUPAC name of 2-[4-(5-amino-6-chloropyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide (CID 90313241) is 2-[4-(5-amino-6-chloropyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide.
What is the SMILES notation for 2-[4-(5-amino-6-chloropyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide?
The canonical SMILES for 2-[4-(5-amino-6-chloropyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(Cl)n2)c(F)c1.
What is the InChIKey of 2-[4-(5-amino-6-chloropyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide?
The InChIKey is NXYCOYKBHPNPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O2S/c1-20(2,3)26-29(27,28)17-7-5-4-6-13(17)12-8-9-14(15(22)10-12)16-11-24-19(23)18(21)25-16/h4-11,26H,1-3H3,(H2,23,24).
What are the key properties of 2-[4-(5-amino-6-chloropyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide?
2-[4-(5-amino-6-chloropyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide has a molecular weight of 434.92 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-amino-6-chloropyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide is sourced from PubChem (CID 90313241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).