4,5-dichloro-1-methyl-N-[4-(pyrazin-2-ylsulfamoyl)phenyl]indole-2-carboxamide

C20H15Cl2N5O3S — CID 130420421

IUPAC4,5-dichloro-1-methyl-N-[4-(pyrazin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3cnccn3)cc2)cc2c(Cl)c(Cl)ccc21
InChIInChI=1S/C20H15Cl2N5O3S/c1-27-16-7-6-15(21)19(22)14(16)10-17(27)20(28)25-12-2-4-13(5-3-12)31(29,30)26-18-11-23-8-9-24-18/h2-11H,1H3,(H,24,26)(H,25,28)
InChIKeyKYLPVYOAXZYNAC-UHFFFAOYSA-N
MW476.35 g/mol
LogP4.33
Rot. Bonds5

About 4,5-dichloro-1-methyl-N-[4-(pyrazin-2-ylsulfamoyl)phenyl]indole-2-carboxamide

4,5-dichloro-1-methyl-N-[4-(pyrazin-2-ylsulfamoyl)phenyl]indole-2-carboxamide (PubChem CID 130420421) has the molecular formula C20H15Cl2N5O3S and a molecular weight of 476.35 g/mol. Its IUPAC name is 4,5-dichloro-1-methyl-N-[4-(pyrazin-2-ylsulfamoyl)phenyl]indole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-1-methyl-N-[4-(pyrazin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
PubChem CID130420421
Molecular FormulaC20H15Cl2N5O3S
Molecular Weight476.35 g/mol
Exact Mass475.03
IUPAC Name4,5-dichloro-1-methyl-N-[4-(pyrazin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3cnccn3)cc2)cc2c(Cl)c(Cl)ccc21
InChIInChI=1S/C20H15Cl2N5O3S/c1-27-16-7-6-15(21)19(22)14(16)10-17(27)20(28)25-12-2-4-13(5-3-12)31(29,30)26-18-11-23-8-9-24-18/h2-11H,1H3,(H,24,26)(H,25,28)
InChIKeyKYLPVYOAXZYNAC-UHFFFAOYSA-N
XLogP4.33
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.35
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[3-fluoro-4-(pyrazin-2-ylsulfamoyl)phenyl]-1,5-dimethylindole-2-carboxamide
CID 130420503
4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide
CID 130408598
4-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 145367844
4,5-dichloro-N-[4-(4-hydroxybutan-2-ylcarbamoylsulfamoyl)phenyl]-1-methylindole-2-carboxamide
CID 130420714
(3R)-3-[[4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]phenyl]sulfonylcarbamoylamino]butanoic acid
CID 130408567
3-[[4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]phenyl]sulfonylcarbamoylamino]butanoic acid
CID 130408666
5-chloro-4-fluoro-1-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 130420435
N-[4-[carbamoyl(2-hydroxypropyl)sulfamoyl]phenyl]-4,5-dichloro-1-methylindole-2-carboxamide
CID 130408721
4-(methylamino)-N-pyrazin-2-ylbenzenesulfonamide
CID 43616210
N-[4-(2-amino-2-oxoethyl)-1-(pyrazin-2-ylamino)sulfanylpiperidin-4-yl]-4,5-dichloro-1-methylindole-2-carboxamide
CID 145367609
3,4-dichloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1078174
N-[4-[carbamoyl(propan-2-yl)sulfamoyl]phenyl]-4-chloro-5-fluoro-1-methylindole-2-carboxamide
CID 130408703

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-methyl-N-[4-(pyrazin-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
The IUPAC name of 4,5-dichloro-1-methyl-N-[4-(pyrazin-2-ylsulfamoyl)phenyl]indole-2-carboxamide (CID 130420421) is 4,5-dichloro-1-methyl-N-[4-(pyrazin-2-ylsulfamoyl)phenyl]indole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-1-methyl-N-[4-(pyrazin-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-1-methyl-N-[4-(pyrazin-2-ylsulfamoyl)phenyl]indole-2-carboxamide is Cn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3cnccn3)cc2)cc2c(Cl)c(Cl)ccc21.
What is the InChIKey of 4,5-dichloro-1-methyl-N-[4-(pyrazin-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
The InChIKey is KYLPVYOAXZYNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5O3S/c1-27-16-7-6-15(21)19(22)14(16)10-17(27)20(28)25-12-2-4-13(5-3-12)31(29,30)26-18-11-23-8-9-24-18/h2-11H,1H3,(H,24,26)(H,25,28).
What are the key properties of 4,5-dichloro-1-methyl-N-[4-(pyrazin-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
4,5-dichloro-1-methyl-N-[4-(pyrazin-2-ylsulfamoyl)phenyl]indole-2-carboxamide has a molecular weight of 476.35 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-methyl-N-[4-(pyrazin-2-ylsulfamoyl)phenyl]indole-2-carboxamide is sourced from PubChem (CID 130420421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).