4-chloro-N-[3-fluoro-4-(pyrazin-2-ylsulfamoyl)phenyl]-1,5-dimethylindole-2-carboxamide

C21H17ClFN5O3S — CID 130420503

IUPAC4-chloro-N-[3-fluoro-4-(pyrazin-2-ylsulfamoyl)phenyl]-1,5-dimethylindole-2-carboxamide
SMILESCc1ccc2c(cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cnccn4)c(F)c3)n2C)c1Cl
InChIInChI=1S/C21H17ClFN5O3S/c1-12-3-5-16-14(20(12)22)10-17(28(16)2)21(29)26-13-4-6-18(15(23)9-13)32(30,31)27-19-11-24-7-8-25-19/h3-11H,1-2H3,(H,25,27)(H,26,29)
InChIKeyBZHXJSOLEQGXLD-UHFFFAOYSA-N
MW473.92 g/mol
LogP4.12
Rot. Bonds5

About 4-chloro-N-[3-fluoro-4-(pyrazin-2-ylsulfamoyl)phenyl]-1,5-dimethylindole-2-carboxamide

4-chloro-N-[3-fluoro-4-(pyrazin-2-ylsulfamoyl)phenyl]-1,5-dimethylindole-2-carboxamide (PubChem CID 130420503) has the molecular formula C21H17ClFN5O3S and a molecular weight of 473.92 g/mol. Its IUPAC name is 4-chloro-N-[3-fluoro-4-(pyrazin-2-ylsulfamoyl)phenyl]-1,5-dimethylindole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-fluoro-4-(pyrazin-2-ylsulfamoyl)phenyl]-1,5-dimethylindole-2-carboxamide
PubChem CID130420503
Molecular FormulaC21H17ClFN5O3S
Molecular Weight473.92 g/mol
Exact Mass473.07
IUPAC Name4-chloro-N-[3-fluoro-4-(pyrazin-2-ylsulfamoyl)phenyl]-1,5-dimethylindole-2-carboxamide
SMILESCc1ccc2c(cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cnccn4)c(F)c3)n2C)c1Cl
InChIInChI=1S/C21H17ClFN5O3S/c1-12-3-5-16-14(20(12)22)10-17(28(16)2)21(29)26-13-4-6-18(15(23)9-13)32(30,31)27-19-11-24-7-8-25-19/h3-11H,1-2H3,(H,25,27)(H,26,29)
InChIKeyBZHXJSOLEQGXLD-UHFFFAOYSA-N
XLogP4.12
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.92
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dichloro-1-methyl-N-[4-(pyrazin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 130420421
4-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 145367844
4-chloro-1,5-dimethyl-N-[4-(1H-pyrazol-5-ylamino)sulfanylphenyl]indole-2-carboxamide
CID 145367749
2-fluoro-N-pyrazin-2-ylbenzenesulfonamide
CID 43616158
5-chloro-4-fluoro-1-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 130420435
4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide
CID 130408598
4,5-dichloro-N-[(3R,4S)-3-cyano-1-(pyrazin-2-ylsulfamoyl)piperidin-4-yl]-1-methylindole-2-carboxamide
CID 130408413
N-[4-[carbamoyl(propan-2-yl)sulfamoyl]phenyl]-4-chloro-5-fluoro-1-methylindole-2-carboxamide
CID 130408703
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzenesulfonyl chloride
CID 66128821
methyl 2-[4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]-1-(pyrazin-2-ylsulfamoyl)piperidin-3-yl]acetate
CID 130408290
N-[3-[(4-chloro-2-fluorophenyl)sulfonylamino]-4-methylphenyl]acetamide
CID 47062928
5-chloro-2-fluoro-3-(pyrazin-2-ylsulfamoyl)benzoic acid
CID 43616100

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-fluoro-4-(pyrazin-2-ylsulfamoyl)phenyl]-1,5-dimethylindole-2-carboxamide?
The IUPAC name of 4-chloro-N-[3-fluoro-4-(pyrazin-2-ylsulfamoyl)phenyl]-1,5-dimethylindole-2-carboxamide (CID 130420503) is 4-chloro-N-[3-fluoro-4-(pyrazin-2-ylsulfamoyl)phenyl]-1,5-dimethylindole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-fluoro-4-(pyrazin-2-ylsulfamoyl)phenyl]-1,5-dimethylindole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[3-fluoro-4-(pyrazin-2-ylsulfamoyl)phenyl]-1,5-dimethylindole-2-carboxamide is Cc1ccc2c(cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cnccn4)c(F)c3)n2C)c1Cl.
What is the InChIKey of 4-chloro-N-[3-fluoro-4-(pyrazin-2-ylsulfamoyl)phenyl]-1,5-dimethylindole-2-carboxamide?
The InChIKey is BZHXJSOLEQGXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN5O3S/c1-12-3-5-16-14(20(12)22)10-17(28(16)2)21(29)26-13-4-6-18(15(23)9-13)32(30,31)27-19-11-24-7-8-25-19/h3-11H,1-2H3,(H,25,27)(H,26,29).
What are the key properties of 4-chloro-N-[3-fluoro-4-(pyrazin-2-ylsulfamoyl)phenyl]-1,5-dimethylindole-2-carboxamide?
4-chloro-N-[3-fluoro-4-(pyrazin-2-ylsulfamoyl)phenyl]-1,5-dimethylindole-2-carboxamide has a molecular weight of 473.92 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-fluoro-4-(pyrazin-2-ylsulfamoyl)phenyl]-1,5-dimethylindole-2-carboxamide is sourced from PubChem (CID 130420503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).