5-[5-amino-6-(1-pyridin-3-ylethenyl)pyrazin-2-yl]-2-chloro-N-(2-methoxyethyl)benzenesulfonamide

C20H20ClN5O3S — CID 143864591

IUPAC5-[5-amino-6-(1-pyridin-3-ylethenyl)pyrazin-2-yl]-2-chloro-N-(2-methoxyethyl)benzenesulfonamide
SMILESC=C(c1cccnc1)c1nc(-c2ccc(Cl)c(S(=O)(=O)NCCOC)c2)cnc1N
InChIInChI=1S/C20H20ClN5O3S/c1-13(15-4-3-7-23-11-15)19-20(22)24-12-17(26-19)14-5-6-16(21)18(10-14)30(27,28)25-8-9-29-2/h3-7,10-12,25H,1,8-9H2,2H3,(H2,22,24)
InChIKeySXPFPTFEWSTTBY-UHFFFAOYSA-N
MW445.93 g/mol
LogP2.76
Rot. Bonds8

About 5-[5-amino-6-(1-pyridin-3-ylethenyl)pyrazin-2-yl]-2-chloro-N-(2-methoxyethyl)benzenesulfonamide

5-[5-amino-6-(1-pyridin-3-ylethenyl)pyrazin-2-yl]-2-chloro-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 143864591) has the molecular formula C20H20ClN5O3S and a molecular weight of 445.93 g/mol. Its IUPAC name is 5-[5-amino-6-(1-pyridin-3-ylethenyl)pyrazin-2-yl]-2-chloro-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-[5-amino-6-(1-pyridin-3-ylethenyl)pyrazin-2-yl]-2-chloro-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID143864591
Molecular FormulaC20H20ClN5O3S
Molecular Weight445.93 g/mol
Exact Mass445.10
IUPAC Name5-[5-amino-6-(1-pyridin-3-ylethenyl)pyrazin-2-yl]-2-chloro-N-(2-methoxyethyl)benzenesulfonamide
SMILESC=C(c1cccnc1)c1nc(-c2ccc(Cl)c(S(=O)(=O)NCCOC)c2)cnc1N
InChIInChI=1S/C20H20ClN5O3S/c1-13(15-4-3-7-23-11-15)19-20(22)24-12-17(26-19)14-5-6-16(21)18(10-14)30(27,28)25-8-9-29-2/h3-7,10-12,25H,1,8-9H2,2H3,(H2,22,24)
InChIKeySXPFPTFEWSTTBY-UHFFFAOYSA-N
XLogP2.76
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-methoxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
CID 59860044
5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide
CID 68631708
4-chloro-3-[2-(2-methoxyethoxy)ethylsulfamoyl]benzenecarbothioamide
CID 80695694
4-chloro-3-(3-methoxypropylsulfamoyl)benzoic acid
CID 19096061
2-[4-[5-amino-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]phenyl]ethyl methanesulfonate
CID 86661489
3-amino-N-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
CID 10367481
4-chloro-3-(4-methoxybutylsulfamoyl)benzenecarbothioamide
CID 80704137
2,4-bis[3-[5-amino-6-(pyridine-3-carbonyl)pyrazin-2-yl]phenyl]pentan-3-one
CID 151413919
methyl 4-chloro-3-[3-(3-methylphenoxy)propylsulfamoyl]benzoate
CID 35317371
3-amino-N-(2-hydroxyethyl)-6-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 121004737
3-amino-N-(2-methoxyethyl)pyridine-2-sulfonamide
CID 103303676
3-amino-6-[3-methyl-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride
CID 10207407

Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-(1-pyridin-3-ylethenyl)pyrazin-2-yl]-2-chloro-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 5-[5-amino-6-(1-pyridin-3-ylethenyl)pyrazin-2-yl]-2-chloro-N-(2-methoxyethyl)benzenesulfonamide (CID 143864591) is 5-[5-amino-6-(1-pyridin-3-ylethenyl)pyrazin-2-yl]-2-chloro-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 5-[5-amino-6-(1-pyridin-3-ylethenyl)pyrazin-2-yl]-2-chloro-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 5-[5-amino-6-(1-pyridin-3-ylethenyl)pyrazin-2-yl]-2-chloro-N-(2-methoxyethyl)benzenesulfonamide is C=C(c1cccnc1)c1nc(-c2ccc(Cl)c(S(=O)(=O)NCCOC)c2)cnc1N.
What is the InChIKey of 5-[5-amino-6-(1-pyridin-3-ylethenyl)pyrazin-2-yl]-2-chloro-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is SXPFPTFEWSTTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O3S/c1-13(15-4-3-7-23-11-15)19-20(22)24-12-17(26-19)14-5-6-16(21)18(10-14)30(27,28)25-8-9-29-2/h3-7,10-12,25H,1,8-9H2,2H3,(H2,22,24).
What are the key properties of 5-[5-amino-6-(1-pyridin-3-ylethenyl)pyrazin-2-yl]-2-chloro-N-(2-methoxyethyl)benzenesulfonamide?
5-[5-amino-6-(1-pyridin-3-ylethenyl)pyrazin-2-yl]-2-chloro-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 445.93 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-6-(1-pyridin-3-ylethenyl)pyrazin-2-yl]-2-chloro-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 143864591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).