1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]indole-2-carboxamide

C19H16N4O3S2 — CID 59205391

IUPAC1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc2ccccc21
InChIInChI=1S/C19H16N4O3S2/c1-23-16-5-3-2-4-13(16)12-17(23)18(24)21-14-6-8-15(9-7-14)28(25,26)22-19-20-10-11-27-19/h2-12H,1H3,(H,20,22)(H,21,24)
InChIKeyNITDVBLDJHYSMP-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.69
Rot. Bonds5

About 1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]indole-2-carboxamide

1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]indole-2-carboxamide (PubChem CID 59205391) has the molecular formula C19H16N4O3S2 and a molecular weight of 412.50 g/mol. Its IUPAC name is 1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]indole-2-carboxamide
PubChem CID59205391
Molecular FormulaC19H16N4O3S2
Molecular Weight412.50 g/mol
Exact Mass412.07
IUPAC Name1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc2ccccc21
InChIInChI=1S/C19H16N4O3S2/c1-23-16-5-3-2-4-13(16)12-17(23)18(24)21-14-6-8-15(9-7-14)28(25,26)22-19-20-10-11-27-19/h2-12H,1H3,(H,20,22)(H,21,24)
InChIKeyNITDVBLDJHYSMP-UHFFFAOYSA-N
XLogP3.69
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
The IUPAC name of 1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]indole-2-carboxamide (CID 59205391) is 1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]indole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]indole-2-carboxamide is Cn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc2ccccc21.
What is the InChIKey of 1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
The InChIKey is NITDVBLDJHYSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S2/c1-23-16-5-3-2-4-13(16)12-17(23)18(24)21-14-6-8-15(9-7-14)28(25,26)22-19-20-10-11-27-19/h2-12H,1H3,(H,20,22)(H,21,24).
What are the key properties of 1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]indole-2-carboxamide has a molecular weight of 412.50 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]indole-2-carboxamide is sourced from PubChem (CID 59205391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).