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

C20H15ClFN5O3S — CID 130420743

IUPAC6-chloro-4-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc2c(F)cc(Cl)cc21
InChIInChI=1S/C20H15ClFN5O3S/c1-27-17-10-12(21)9-16(22)15(17)11-18(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)
InChIKeyHQZXGGKNDCNRMY-UHFFFAOYSA-N
MW459.89 g/mol
LogP3.81
Rot. Bonds5

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

6-chloro-4-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide (PubChem CID 130420743) has the molecular formula C20H15ClFN5O3S and a molecular weight of 459.89 g/mol. Its IUPAC name is 6-chloro-4-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-4-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
PubChem CID130420743
Molecular FormulaC20H15ClFN5O3S
Molecular Weight459.89 g/mol
Exact Mass459.06
IUPAC Name6-chloro-4-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc2c(F)cc(Cl)cc21
InChIInChI=1S/C20H15ClFN5O3S/c1-27-17-10-12(21)9-16(22)15(17)11-18(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)
InChIKeyHQZXGGKNDCNRMY-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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Related Compounds

1-[(2-amino-4-pyridyl)methyl]-5-chloro-N-(3,5-difluorophenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 57394094
1-[(2-amino-4-pyridyl)methyl]-5-chloro-N-[4-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 57395955
1-[(2-amino-4-pyridyl)methyl]-5-chloro-N-(2,4-difluorophenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 57397651
1-[(2-amino-4-pyridyl)methyl]-5-chloro-N-(2,5-difluorophenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 57399325
N-(4-aminophenyl)sulfonyl-1-[(2-amino-4-pyridyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 57399420
1-[(2-amino-4-pyridyl)methyl]-5-chloro-N-(4-fluoro-2-methyl-phenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 57401092
1-[(2-amino-4-pyridyl)methyl]-5-chloro-N-(2-fluorophenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 57402989
4-(2-Aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide
CID 118729861
1-[(2-amino-4-pyridinyl)methyl]-6-chloro-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 156016576
4-chloro-N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]benzamide
CID 2471346
1-(1-(4-chlorobenzyl)-1H-indole-2-carbonyl)-N-((1-methyl-1H-imidazol-4-yl)methyl)piperidine-4-carboxamide
CID 66571279
US9688661, 1-(5-chloro-2-methylphenyl)-4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide (compd 232)
CID 133081491

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
The IUPAC name of 6-chloro-4-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide (CID 130420743) is 6-chloro-4-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide.
What is the SMILES notation for 6-chloro-4-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
The canonical SMILES for 6-chloro-4-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide is Cn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc2c(F)cc(Cl)cc21.
What is the InChIKey of 6-chloro-4-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
The InChIKey is HQZXGGKNDCNRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN5O3S/c1-27-17-10-12(21)9-16(22)15(17)11-18(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-4-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
6-chloro-4-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-4-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide is sourced from PubChem (CID 130420743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).