4-fluoro-N-[4-[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide

C24H24FN3O3S — CID 30935060

IUPAC4-fluoro-N-[4-[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide
SMILESC[C@@H](Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C24H24FN3O3S/c1-16-15-18-5-3-4-6-23(18)28(16)24(29)17(2)26-20-9-11-21(12-10-20)27-32(30,31)22-13-7-19(25)8-14-22/h3-14,16-17,26-27H,15H2,1-2H3/t16-,17+/m0/s1
InChIKeyIBJFDOGBTWPZQG-DLBZAZTESA-N
MW453.54 g/mol
LogP4.40
Rot. Bonds6

About 4-fluoro-N-[4-[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide

4-fluoro-N-[4-[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide (PubChem CID 30935060) has the molecular formula C24H24FN3O3S and a molecular weight of 453.54 g/mol. Its IUPAC name is 4-fluoro-N-[4-[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide
PubChem CID30935060
Molecular FormulaC24H24FN3O3S
Molecular Weight453.54 g/mol
Exact Mass453.15
IUPAC Name4-fluoro-N-[4-[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide
SMILESC[C@@H](Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C24H24FN3O3S/c1-16-15-18-5-3-4-6-23(18)28(16)24(29)17(2)26-20-9-11-21(12-10-20)27-32(30,31)22-13-7-19(25)8-14-22/h3-14,16-17,26-27H,15H2,1-2H3/t16-,17+/m0/s1
InChIKeyIBJFDOGBTWPZQG-DLBZAZTESA-N
XLogP4.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[4-[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 71903229
3-methyl-N-[4-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]butanamide
CID 43049982
(2R)-2-[(6-methoxy-3-pyridinyl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 37303795
3,4-difluoro-N-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
CID 42940841
methyl N-methyl-N-[4-[[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 95171946
2-(3-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 55351280
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2462085
4-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 133239338
(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)anilino]propan-1-one
CID 32786814
N-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]propanamide
CID 17478192
N-[4-chloro-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]benzenesulfonamide
CID 94012252
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 31010331

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide (CID 30935060) is 4-fluoro-N-[4-[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide is C[C@@H](Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)N1c2ccccc2C[C@@H]1C.
What is the InChIKey of 4-fluoro-N-[4-[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide?
The InChIKey is IBJFDOGBTWPZQG-DLBZAZTESA-N. The full InChI is InChI=1S/C24H24FN3O3S/c1-16-15-18-5-3-4-6-23(18)28(16)24(29)17(2)26-20-9-11-21(12-10-20)27-32(30,31)22-13-7-19(25)8-14-22/h3-14,16-17,26-27H,15H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of 4-fluoro-N-[4-[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide?
4-fluoro-N-[4-[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide has a molecular weight of 453.54 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 30935060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).