3-amino-6-[4-chloro-3-[(2,3-difluorophenyl)sulfamoyl]phenyl]-N-methylpyrazine-2-carboxamide

C18H14ClF2N5O3S — CID 56955954

IUPAC3-amino-6-[4-chloro-3-[(2,3-difluorophenyl)sulfamoyl]phenyl]-N-methylpyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2ccc(Cl)c(S(=O)(=O)Nc3cccc(F)c3F)c2)cnc1N
InChIInChI=1S/C18H14ClF2N5O3S/c1-23-18(27)16-17(22)24-8-13(25-16)9-5-6-10(19)14(7-9)30(28,29)26-12-4-2-3-11(20)15(12)21/h2-8,26H,1H3,(H2,22,24)(H,23,27)
InChIKeyGEYLKEHPEKRUTC-UHFFFAOYSA-N
MW453.86 g/mol
LogP2.82
Rot. Bonds5

About 3-amino-6-[4-chloro-3-[(2,3-difluorophenyl)sulfamoyl]phenyl]-N-methylpyrazine-2-carboxamide

3-amino-6-[4-chloro-3-[(2,3-difluorophenyl)sulfamoyl]phenyl]-N-methylpyrazine-2-carboxamide (PubChem CID 56955954) has the molecular formula C18H14ClF2N5O3S and a molecular weight of 453.86 g/mol. Its IUPAC name is 3-amino-6-[4-chloro-3-[(2,3-difluorophenyl)sulfamoyl]phenyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-chloro-3-[(2,3-difluorophenyl)sulfamoyl]phenyl]-N-methylpyrazine-2-carboxamide
PubChem CID56955954
Molecular FormulaC18H14ClF2N5O3S
Molecular Weight453.86 g/mol
Exact Mass453.05
IUPAC Name3-amino-6-[4-chloro-3-[(2,3-difluorophenyl)sulfamoyl]phenyl]-N-methylpyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2ccc(Cl)c(S(=O)(=O)Nc3cccc(F)c3F)c2)cnc1N
InChIInChI=1S/C18H14ClF2N5O3S/c1-23-18(27)16-17(22)24-8-13(25-16)9-5-6-10(19)14(7-9)30(28,29)26-12-4-2-3-11(20)15(12)21/h2-8,26H,1H3,(H2,22,24)(H,23,27)
InChIKeyGEYLKEHPEKRUTC-UHFFFAOYSA-N
XLogP2.82
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.86
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-Amino-6-(4-{[2-(Dimethylamino)ethyl]sulfamoyl}phenyl)-N-Pyridin-3-Ylpyrazine-2-Carboxamide
CID 56962315
3-amino-6-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10141178
3-Amino-6-[2-fluoro-4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-N-3-pyridinyl-2-pyrazinecarboxamide
CID 10164394
3-amino-N-(3-pyridyl)-6-(4-sulfamoylphenyl)pyrazine-2-carboxamide
CID 10177172
3-amino-6-{3-fluoro-4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10301015
5-[5-amino-6-(pyridine-3-carbonyl)pyrazin-2-yl]-2-chloro-N-phenylbenzenesulfonamide
CID 44219291
3-amino-6-(3-(methylsulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide
CID 46834572
3-amino-6-[4-chloro-3-[(3-fluoro-2-methylphenyl)sulfamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 60155724
3-amino-N-methyl-6-[3-(phenylsulfamoyl)phenyl]pyrazine-2-carboxamide
CID 60155377
3-amino-6-[4-chloro-3-(phenylsulfamoyl)phenyl]-N-methylpyrazine-2-carboxamide
CID 60155378
3-amino-6-[4-chloro-3-(methylsulfamoyl)phenyl]-N-methylpyrazine-2-carboxamide
CID 60155379
3-amino-6-(4-chloro-3-sulfamoylphenyl)-N-methylpyrazine-2-carboxamide
CID 60155469

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-chloro-3-[(2,3-difluorophenyl)sulfamoyl]phenyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-chloro-3-[(2,3-difluorophenyl)sulfamoyl]phenyl]-N-methylpyrazine-2-carboxamide (CID 56955954) is 3-amino-6-[4-chloro-3-[(2,3-difluorophenyl)sulfamoyl]phenyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-chloro-3-[(2,3-difluorophenyl)sulfamoyl]phenyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-chloro-3-[(2,3-difluorophenyl)sulfamoyl]phenyl]-N-methylpyrazine-2-carboxamide is CNC(=O)c1nc(-c2ccc(Cl)c(S(=O)(=O)Nc3cccc(F)c3F)c2)cnc1N.
What is the InChIKey of 3-amino-6-[4-chloro-3-[(2,3-difluorophenyl)sulfamoyl]phenyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is GEYLKEHPEKRUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N5O3S/c1-23-18(27)16-17(22)24-8-13(25-16)9-5-6-10(19)14(7-9)30(28,29)26-12-4-2-3-11(20)15(12)21/h2-8,26H,1H3,(H2,22,24)(H,23,27).
What are the key properties of 3-amino-6-[4-chloro-3-[(2,3-difluorophenyl)sulfamoyl]phenyl]-N-methylpyrazine-2-carboxamide?
3-amino-6-[4-chloro-3-[(2,3-difluorophenyl)sulfamoyl]phenyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 453.86 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-chloro-3-[(2,3-difluorophenyl)sulfamoyl]phenyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 56955954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).