N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide

C24H22N2O3S — CID 174891130

IUPACN-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide
SMILESCc1cc(C)cc(Cn2c(C(=O)NS(=O)(=O)c3ccccc3)cc3ccccc32)c1
InChIInChI=1S/C24H22N2O3S/c1-17-12-18(2)14-19(13-17)16-26-22-11-7-6-8-20(22)15-23(26)24(27)25-30(28,29)21-9-4-3-5-10-21/h3-15H,16H2,1-2H3,(H,25,27)
InChIKeyYRCHYLFUUWABMI-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.43
Rot. Bonds5

About N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide

N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide (PubChem CID 174891130) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide
PubChem CID174891130
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC NameN-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide
SMILESCc1cc(C)cc(Cn2c(C(=O)NS(=O)(=O)c3ccccc3)cc3ccccc32)c1
InChIInChI=1S/C24H22N2O3S/c1-17-12-18(2)14-19(13-17)16-26-22-11-7-6-8-20(22)15-23(26)24(27)25-30(28,29)21-9-4-3-5-10-21/h3-15H,16H2,1-2H3,(H,25,27)
InChIKeyYRCHYLFUUWABMI-UHFFFAOYSA-N
XLogP4.43
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide (CID 174891130) is N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide is Cc1cc(C)cc(Cn2c(C(=O)NS(=O)(=O)c3ccccc3)cc3ccccc32)c1.
What is the InChIKey of N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide?
The InChIKey is YRCHYLFUUWABMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-17-12-18(2)14-19(13-17)16-26-22-11-7-6-8-20(22)15-23(26)24(27)25-30(28,29)21-9-4-3-5-10-21/h3-15H,16H2,1-2H3,(H,25,27).
What are the key properties of N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide?
N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide is sourced from PubChem (CID 174891130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).