N-[(2S)-1-(2,6-dibromophenyl)-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide

C22H21Br2NO2S — CID 165342128

IUPACN-[(2S)-1-(2,6-dibromophenyl)-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)Cc2c(Br)cccc2Br)cc1
InChIInChI=1S/C22H21Br2NO2S/c1-16-10-12-19(13-11-16)28(26,27)25-18(14-17-6-3-2-4-7-17)15-20-21(23)8-5-9-22(20)24/h2-13,18,25H,14-15H2,1H3/t18-/m0/s1
InChIKeyMNIYMUUWJCQLNV-SFHVURJKSA-N
MW523.29 g/mol
LogP5.65
Rot. Bonds7

About N-[(2S)-1-(2,6-dibromophenyl)-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide

N-[(2S)-1-(2,6-dibromophenyl)-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide (PubChem CID 165342128) has the molecular formula C22H21Br2NO2S and a molecular weight of 523.29 g/mol. Its IUPAC name is N-[(2S)-1-(2,6-dibromophenyl)-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-(2,6-dibromophenyl)-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
PubChem CID165342128
Molecular FormulaC22H21Br2NO2S
Molecular Weight523.29 g/mol
Exact Mass520.97
IUPAC NameN-[(2S)-1-(2,6-dibromophenyl)-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)Cc2c(Br)cccc2Br)cc1
InChIInChI=1S/C22H21Br2NO2S/c1-16-10-12-19(13-11-16)28(26,27)25-18(14-17-6-3-2-4-7-17)15-20-21(23)8-5-9-22(20)24/h2-13,18,25H,14-15H2,1H3/t18-/m0/s1
InChIKeyMNIYMUUWJCQLNV-SFHVURJKSA-N
XLogP5.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.29
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-1-(2,6-dibromophenyl)-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide 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

N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
CID 5155581
N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 102467096
4-methyl-N-[(2S)-1-phenylpentan-2-yl]benzenesulfonamide
CID 45102181
4-methyl-N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]benzenesulfonamide
CID 50993309
4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide
CID 45102183
4-methyl-N-[(2S)-1-phenyl-3-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 93004561
[(2R)-1,1-dideuterio-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate
CID 131668400
4-methyl-N-[(2R,4S)-4-methyl-5-oxo-1-phenylheptan-2-yl]benzenesulfonamide
CID 10809381
4-methyl-N-[(2S)-1,1,1-trideuterio-3-phenylpropan-2-yl]benzenesulfonamide
CID 71752636
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl fluoride
CID 175585401
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3690831
N-(1-bromo-3-phenylpropan-2-yl)-4-fluorobenzenesulfonamide
CID 114296925

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2,6-dibromophenyl)-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2S)-1-(2,6-dibromophenyl)-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide (CID 165342128) is N-[(2S)-1-(2,6-dibromophenyl)-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-(2,6-dibromophenyl)-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-1-(2,6-dibromophenyl)-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)Cc2c(Br)cccc2Br)cc1.
What is the InChIKey of N-[(2S)-1-(2,6-dibromophenyl)-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is MNIYMUUWJCQLNV-SFHVURJKSA-N. The full InChI is InChI=1S/C22H21Br2NO2S/c1-16-10-12-19(13-11-16)28(26,27)25-18(14-17-6-3-2-4-7-17)15-20-21(23)8-5-9-22(20)24/h2-13,18,25H,14-15H2,1H3/t18-/m0/s1.
What are the key properties of N-[(2S)-1-(2,6-dibromophenyl)-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide?
N-[(2S)-1-(2,6-dibromophenyl)-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 523.29 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2,6-dibromophenyl)-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 165342128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).