N-[1-(5-bromo-1H-indol-3-yl)-3-oxo-1,3-diphenylpropan-2-yl]-4-methylbenzenesulfonamide

C30H25BrN2O3S — CID 134844607

IUPACN-[1-(5-bromo-1H-indol-3-yl)-3-oxo-1,3-diphenylpropan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C(=O)c2ccccc2)C(c2ccccc2)c2c[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C30H25BrN2O3S/c1-20-12-15-24(16-13-20)37(35,36)33-29(30(34)22-10-6-3-7-11-22)28(21-8-4-2-5-9-21)26-19-32-27-17-14-23(31)18-25(26)27/h2-19,28-29,32-33H,1H3
InChIKeyRTYYTDFTVKXQJT-UHFFFAOYSA-N
MW573.51 g/mol
LogP6.60
Rot. Bonds8

About N-[1-(5-bromo-1H-indol-3-yl)-3-oxo-1,3-diphenylpropan-2-yl]-4-methylbenzenesulfonamide

N-[1-(5-bromo-1H-indol-3-yl)-3-oxo-1,3-diphenylpropan-2-yl]-4-methylbenzenesulfonamide (PubChem CID 134844607) has the molecular formula C30H25BrN2O3S and a molecular weight of 573.51 g/mol. Its IUPAC name is N-[1-(5-bromo-1H-indol-3-yl)-3-oxo-1,3-diphenylpropan-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(5-bromo-1H-indol-3-yl)-3-oxo-1,3-diphenylpropan-2-yl]-4-methylbenzenesulfonamide
PubChem CID134844607
Molecular FormulaC30H25BrN2O3S
Molecular Weight573.51 g/mol
Exact Mass572.08
IUPAC NameN-[1-(5-bromo-1H-indol-3-yl)-3-oxo-1,3-diphenylpropan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C(=O)c2ccccc2)C(c2ccccc2)c2c[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C30H25BrN2O3S/c1-20-12-15-24(16-13-20)37(35,36)33-29(30(34)22-10-6-3-7-11-22)28(21-8-4-2-5-9-21)26-19-32-27-17-14-23(31)18-25(26)27/h2-19,28-29,32-33H,1H3
InChIKeyRTYYTDFTVKXQJT-UHFFFAOYSA-N
XLogP6.60
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.51
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(5-bromo-1H-indol-3-yl)-3-oxo-1,3-diphenylpropan-2-yl]-4-methylbenzenesulfonamide with MolForge

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Related Compounds

2-(5-bromo-1H-indol-3-yl)-2-(3-methylanilino)-1-(4-methylphenyl)ethanone
CID 71505481
(3R)-3-(5-bromo-1H-indol-3-yl)-1,3-diphenylpropan-1-one
CID 50901334
N-[(1R,2R)-2-bromo-3-oxo-1,3-diphenylpropyl]-4-methylbenzenesulfonamide
CID 102280789
N-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide
CID 102281478
N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 42994892
N-[(1R,2S)-1-bromo-3-(4-methoxyphenyl)-3-oxo-1-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 102280791
(2R)-2-(5-bromo-1H-indol-3-yl)-2-phenylethanol
CID 10892445
N-[(1S,2S)-1-(4-fluorophenyl)-3-oxo-2,3-diphenylpropyl]-4-methylbenzenesulfonamide
CID 135064335
N-[2-[(3-bromophenyl)-(1H-indol-3-yl)methyl]-1-benzofuran-3-yl]-4-methylbenzenesulfonamide
CID 155666797
5-bromo-3-[1-(4-methylphenyl)-3-phenylprop-2-ynyl]-1H-indole
CID 53348478
5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3-methylphenyl)methyl]-1H-indole
CID 46845933
N-[(R)-(5-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide
CID 141133880

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-1H-indol-3-yl)-3-oxo-1,3-diphenylpropan-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(5-bromo-1H-indol-3-yl)-3-oxo-1,3-diphenylpropan-2-yl]-4-methylbenzenesulfonamide (CID 134844607) is N-[1-(5-bromo-1H-indol-3-yl)-3-oxo-1,3-diphenylpropan-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(5-bromo-1H-indol-3-yl)-3-oxo-1,3-diphenylpropan-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(5-bromo-1H-indol-3-yl)-3-oxo-1,3-diphenylpropan-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C(=O)c2ccccc2)C(c2ccccc2)c2c[nH]c3ccc(Br)cc23)cc1.
What is the InChIKey of N-[1-(5-bromo-1H-indol-3-yl)-3-oxo-1,3-diphenylpropan-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is RTYYTDFTVKXQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25BrN2O3S/c1-20-12-15-24(16-13-20)37(35,36)33-29(30(34)22-10-6-3-7-11-22)28(21-8-4-2-5-9-21)26-19-32-27-17-14-23(31)18-25(26)27/h2-19,28-29,32-33H,1H3.
What are the key properties of N-[1-(5-bromo-1H-indol-3-yl)-3-oxo-1,3-diphenylpropan-2-yl]-4-methylbenzenesulfonamide?
N-[1-(5-bromo-1H-indol-3-yl)-3-oxo-1,3-diphenylpropan-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 573.51 g/mol, XLogP of 6.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-1H-indol-3-yl)-3-oxo-1,3-diphenylpropan-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134844607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).