N-[(R)-(4-bromophenyl)-(4,7-dihydro-1H-indol-2-yl)methyl]-4-methylbenzenesulfonamide

C22H21BrN2O2S — CID 24874069

IUPACN-[(R)-(4-bromophenyl)-(4,7-dihydro-1H-indol-2-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](c2ccc(Br)cc2)c2cc3c([nH]2)CC=CC3)cc1
InChIInChI=1S/C22H21BrN2O2S/c1-15-6-12-19(13-7-15)28(26,27)25-22(16-8-10-18(23)11-9-16)21-14-17-4-2-3-5-20(17)24-21/h2-3,6-14,22,24-25H,4-5H2,1H3/t22-/m1/s1
InChIKeyQSZBSHQFWOQLDT-JOCHJYFZSA-N
MW457.39 g/mol
LogP4.81
Rot. Bonds5

About N-[(R)-(4-bromophenyl)-(4,7-dihydro-1H-indol-2-yl)methyl]-4-methylbenzenesulfonamide

N-[(R)-(4-bromophenyl)-(4,7-dihydro-1H-indol-2-yl)methyl]-4-methylbenzenesulfonamide (PubChem CID 24874069) has the molecular formula C22H21BrN2O2S and a molecular weight of 457.39 g/mol. Its IUPAC name is N-[(R)-(4-bromophenyl)-(4,7-dihydro-1H-indol-2-yl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(R)-(4-bromophenyl)-(4,7-dihydro-1H-indol-2-yl)methyl]-4-methylbenzenesulfonamide
PubChem CID24874069
Molecular FormulaC22H21BrN2O2S
Molecular Weight457.39 g/mol
Exact Mass456.05
IUPAC NameN-[(R)-(4-bromophenyl)-(4,7-dihydro-1H-indol-2-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](c2ccc(Br)cc2)c2cc3c([nH]2)CC=CC3)cc1
InChIInChI=1S/C22H21BrN2O2S/c1-15-6-12-19(13-7-15)28(26,27)25-22(16-8-10-18(23)11-9-16)21-14-17-4-2-3-5-20(17)24-21/h2-3,6-14,22,24-25H,4-5H2,1H3/t22-/m1/s1
InChIKeyQSZBSHQFWOQLDT-JOCHJYFZSA-N
XLogP4.81
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.39
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(R)-(4-bromophenyl)-(4,7-dihydro-1H-indol-2-yl)methyl]-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-[(5-fluoro-4,7-dihydro-1H-indol-2-yl)-phenylmethyl]-4-methylbenzenesulfonamide
CID 141268225
N-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide
CID 102281478
N-[(4-bromophenyl)-cyanomethyl]-4-methylbenzenesulfonamide
CID 53465731
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204
N-[(4-bromophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 166175665
N-[2-(4-bromophenyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide
CID 102530107
N-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 134952581
4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7937746
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
N-(4-bromo-2,6-diiodophenyl)-4-methylbenzenesulfonamide
CID 169370885
4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816866

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-bromophenyl)-(4,7-dihydro-1H-indol-2-yl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(R)-(4-bromophenyl)-(4,7-dihydro-1H-indol-2-yl)methyl]-4-methylbenzenesulfonamide (CID 24874069) is N-[(R)-(4-bromophenyl)-(4,7-dihydro-1H-indol-2-yl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(R)-(4-bromophenyl)-(4,7-dihydro-1H-indol-2-yl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(R)-(4-bromophenyl)-(4,7-dihydro-1H-indol-2-yl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](c2ccc(Br)cc2)c2cc3c([nH]2)CC=CC3)cc1.
What is the InChIKey of N-[(R)-(4-bromophenyl)-(4,7-dihydro-1H-indol-2-yl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is QSZBSHQFWOQLDT-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H21BrN2O2S/c1-15-6-12-19(13-7-15)28(26,27)25-22(16-8-10-18(23)11-9-16)21-14-17-4-2-3-5-20(17)24-21/h2-3,6-14,22,24-25H,4-5H2,1H3/t22-/m1/s1.
What are the key properties of N-[(R)-(4-bromophenyl)-(4,7-dihydro-1H-indol-2-yl)methyl]-4-methylbenzenesulfonamide?
N-[(R)-(4-bromophenyl)-(4,7-dihydro-1H-indol-2-yl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 457.39 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-bromophenyl)-(4,7-dihydro-1H-indol-2-yl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 24874069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).