6-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide

C20H15ClFN5O3S — CID 130408625

IUPAC6-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc2cc(F)c(Cl)cc21
InChIInChI=1S/C20H15ClFN5O3S/c1-27-17-11-15(21)16(22)9-12(17)10-18(27)19(28)25-13-3-5-14(6-4-13)31(29,30)26-20-23-7-2-8-24-20/h2-11H,1H3,(H,25,28)(H,23,24,26)
InChIKeyDVWDBYWTHVAQSU-UHFFFAOYSA-N
MW459.89 g/mol
LogP3.81
Rot. Bonds5

About 6-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide

6-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide (PubChem CID 130408625) has the molecular formula C20H15ClFN5O3S and a molecular weight of 459.89 g/mol. Its IUPAC name is 6-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
PubChem CID130408625
Molecular FormulaC20H15ClFN5O3S
Molecular Weight459.89 g/mol
Exact Mass459.06
IUPAC Name6-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc2cc(F)c(Cl)cc21
InChIInChI=1S/C20H15ClFN5O3S/c1-27-17-11-15(21)16(22)9-12(17)10-18(27)19(28)25-13-3-5-14(6-4-13)31(29,30)26-20-23-7-2-8-24-20/h2-11H,1H3,(H,25,28)(H,23,24,26)
InChIKeyDVWDBYWTHVAQSU-UHFFFAOYSA-N
XLogP3.81
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.89
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
The IUPAC name of 6-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide (CID 130408625) is 6-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide.
What is the SMILES notation for 6-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
The canonical SMILES for 6-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide is Cn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc2cc(F)c(Cl)cc21.
What is the InChIKey of 6-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
The InChIKey is DVWDBYWTHVAQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN5O3S/c1-27-17-11-15(21)16(22)9-12(17)10-18(27)19(28)25-13-3-5-14(6-4-13)31(29,30)26-20-23-7-2-8-24-20/h2-11H,1H3,(H,25,28)(H,23,24,26).
What are the key properties of 6-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
6-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide has a molecular weight of 459.89 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide is sourced from PubChem (CID 130408625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).