N-benzyl-N-(1,3-dimethylindol-2-yl)-4-methylbenzenesulfonamide

C24H24N2O2S — CID 132549747

IUPACN-benzyl-N-(1,3-dimethylindol-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(C)c3ccccc3n2C)cc1
InChIInChI=1S/C24H24N2O2S/c1-18-13-15-21(16-14-18)29(27,28)26(17-20-9-5-4-6-10-20)24-19(2)22-11-7-8-12-23(22)25(24)3/h4-16H,17H2,1-3H3
InChIKeyGPTSFIVWYBXVAM-UHFFFAOYSA-N
MW404.54 g/mol
LogP5.19
Rot. Bonds5

About N-benzyl-N-(1,3-dimethylindol-2-yl)-4-methylbenzenesulfonamide

N-benzyl-N-(1,3-dimethylindol-2-yl)-4-methylbenzenesulfonamide (PubChem CID 132549747) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-benzyl-N-(1,3-dimethylindol-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(1,3-dimethylindol-2-yl)-4-methylbenzenesulfonamide
PubChem CID132549747
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC NameN-benzyl-N-(1,3-dimethylindol-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(C)c3ccccc3n2C)cc1
InChIInChI=1S/C24H24N2O2S/c1-18-13-15-21(16-14-18)29(27,28)26(17-20-9-5-4-6-10-20)24-19(2)22-11-7-8-12-23(22)25(24)3/h4-16H,17H2,1-3H3
InChIKeyGPTSFIVWYBXVAM-UHFFFAOYSA-N
XLogP5.19
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide
CID 162402411
N-benzyl-N-[5-[5-[5-[benzyl-(4-methylphenyl)sulfonylamino]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-methylbenzenesulfonamide
CID 132562198
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N-benzyl-N-[2-[benzyl-(4-methylphenyl)sulfonylamino]ethynyl]-4-methylbenzenesulfonamide
CID 162397950
N-ethyl-4-methyl-N-(10-methylindolo[3,2-b]quinolin-11-yl)benzenesulfonamide
CID 10477746
N,N-dibenzyl-2-[3-methyl-1-(4-methylphenyl)sulfonylindol-2-yl]ethanamine
CID 177394867
N-benzyl-4-methyl-N-(3-methyl-1-phenylpyrazol-4-yl)benzenesulfonamide
CID 132849370
N-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 46014799
N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 126386470
N-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 56647729
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide
CID 983510

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1,3-dimethylindol-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-(1,3-dimethylindol-2-yl)-4-methylbenzenesulfonamide (CID 132549747) is N-benzyl-N-(1,3-dimethylindol-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(1,3-dimethylindol-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-(1,3-dimethylindol-2-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(C)c3ccccc3n2C)cc1.
What is the InChIKey of N-benzyl-N-(1,3-dimethylindol-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is GPTSFIVWYBXVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-18-13-15-21(16-14-18)29(27,28)26(17-20-9-5-4-6-10-20)24-19(2)22-11-7-8-12-23(22)25(24)3/h4-16H,17H2,1-3H3.
What are the key properties of N-benzyl-N-(1,3-dimethylindol-2-yl)-4-methylbenzenesulfonamide?
N-benzyl-N-(1,3-dimethylindol-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 404.54 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1,3-dimethylindol-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 132549747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).