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

C20H15ClFN5O3S — CID 145367844

IUPAC4-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc2c(Cl)c(F)ccc21
InChIInChI=1S/C20H15ClFN5O3S/c1-27-16-8-7-15(22)18(21)14(16)11-17(27)19(28)25-12-3-5-13(6-4-12)31(29,30)26-20-23-9-2-10-24-20/h2-11H,1H3,(H,25,28)(H,23,24,26)
InChIKeyRHKLNGLEYORUFY-UHFFFAOYSA-N
MW459.89 g/mol
LogP3.81
Rot. Bonds5

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

4-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide (PubChem CID 145367844) has the molecular formula C20H15ClFN5O3S and a molecular weight of 459.89 g/mol. Its IUPAC name is 4-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
PubChem CID145367844
Molecular FormulaC20H15ClFN5O3S
Molecular Weight459.89 g/mol
Exact Mass459.06
IUPAC Name4-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc2c(Cl)c(F)ccc21
InChIInChI=1S/C20H15ClFN5O3S/c1-27-16-8-7-15(22)18(21)14(16)11-17(27)19(28)25-12-3-5-13(6-4-12)31(29,30)26-20-23-9-2-10-24-20/h2-11H,1H3,(H,25,28)(H,23,24,26)
InChIKeyRHKLNGLEYORUFY-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

N-[4-[carbamoyl(propan-2-yl)sulfamoyl]phenyl]-4-chloro-5-fluoro-1-methylindole-2-carboxamide
CID 130408703
4,5-dichloro-1-methyl-N-[4-(pyrazin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 130420421
5-chloro-4-fluoro-1-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 130420435
4-chloro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267893
2,3,4,5,6-pentafluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2169475
1-(4-chlorophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]urea
CID 2200922
4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide
CID 130408598
4,5-dichloro-N-[4-(4-hydroxybutan-2-ylcarbamoylsulfamoyl)phenyl]-1-methylindole-2-carboxamide
CID 130420714
3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2521510
3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2597997
3-[[4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]phenyl]sulfonylcarbamoylamino]butanoic acid
CID 130408666
(3R)-3-[[4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]phenyl]sulfonylcarbamoylamino]butanoic acid
CID 130408567

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
The IUPAC name of 4-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide (CID 145367844) is 4-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide.
What is the SMILES notation for 4-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
The canonical SMILES for 4-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide is Cn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc2c(Cl)c(F)ccc21.
What is the InChIKey of 4-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
The InChIKey is RHKLNGLEYORUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN5O3S/c1-27-16-8-7-15(22)18(21)14(16)11-17(27)19(28)25-12-3-5-13(6-4-12)31(29,30)26-20-23-9-2-10-24-20/h2-11H,1H3,(H,25,28)(H,23,24,26).
What are the key properties of 4-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
4-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 4-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide is sourced from PubChem (CID 145367844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).