2-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1H-indole-3-carboxamide

C23H21N3O3S — CID 26739273

IUPAC2-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C23H21N3O3S/c1-16-22(20-13-6-7-14-21(20)24-16)23(27)25-17-9-8-12-19(15-17)30(28,29)26(2)18-10-4-3-5-11-18/h3-15,24H,1-2H3,(H,25,27)
InChIKeyGYXWFNMQPSEOED-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.55
Rot. Bonds5

About 2-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1H-indole-3-carboxamide

2-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1H-indole-3-carboxamide (PubChem CID 26739273) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 2-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1H-indole-3-carboxamide
PubChem CID26739273
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name2-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C23H21N3O3S/c1-16-22(20-13-6-7-14-21(20)24-16)23(27)25-17-9-8-12-19(15-17)30(28,29)26(2)18-10-4-3-5-11-18/h3-15,24H,1-2H3,(H,25,27)
InChIKeyGYXWFNMQPSEOED-UHFFFAOYSA-N
XLogP4.55
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-methyl-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-1H-indole-3-carboxamide
CID 60557496
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1H-indole-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1H-indole-3-carboxamide (CID 26739273) is 2-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1H-indole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1H-indole-3-carboxamide is Cc1[nH]c2ccccc2c1C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1.
What is the InChIKey of 2-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1H-indole-3-carboxamide?
The InChIKey is GYXWFNMQPSEOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-16-22(20-13-6-7-14-21(20)24-16)23(27)25-17-9-8-12-19(15-17)30(28,29)26(2)18-10-4-3-5-11-18/h3-15,24H,1-2H3,(H,25,27).
What are the key properties of 2-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1H-indole-3-carboxamide?
2-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1H-indole-3-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 26739273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).