N-[(5-fluoro-4,7-dihydro-1H-indol-2-yl)-phenylmethyl]-4-methylbenzenesulfonamide

C22H21FN2O2S — CID 141268225

IUPACN-[(5-fluoro-4,7-dihydro-1H-indol-2-yl)-phenylmethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2ccccc2)c2cc3c([nH]2)CC=C(F)C3)cc1
InChIInChI=1S/C22H21FN2O2S/c1-15-7-10-19(11-8-15)28(26,27)25-22(16-5-3-2-4-6-16)21-14-17-13-18(23)9-12-20(17)24-21/h2-11,14,22,24-25H,12-13H2,1H3
InChIKeyOOQXFOUAUSLKMR-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.34
Rot. Bonds5

About N-[(5-fluoro-4,7-dihydro-1H-indol-2-yl)-phenylmethyl]-4-methylbenzenesulfonamide

N-[(5-fluoro-4,7-dihydro-1H-indol-2-yl)-phenylmethyl]-4-methylbenzenesulfonamide (PubChem CID 141268225) has the molecular formula C22H21FN2O2S and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[(5-fluoro-4,7-dihydro-1H-indol-2-yl)-phenylmethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-fluoro-4,7-dihydro-1H-indol-2-yl)-phenylmethyl]-4-methylbenzenesulfonamide
PubChem CID141268225
Molecular FormulaC22H21FN2O2S
Molecular Weight396.49 g/mol
Exact Mass396.13
IUPAC NameN-[(5-fluoro-4,7-dihydro-1H-indol-2-yl)-phenylmethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2ccccc2)c2cc3c([nH]2)CC=C(F)C3)cc1
InChIInChI=1S/C22H21FN2O2S/c1-15-7-10-19(11-8-15)28(26,27)25-22(16-5-3-2-4-6-16)21-14-17-13-18(23)9-12-20(17)24-21/h2-11,14,22,24-25H,12-13H2,1H3
InChIKeyOOQXFOUAUSLKMR-UHFFFAOYSA-N
XLogP4.34
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(5-fluoro-4,7-dihydro-1H-indol-2-yl)-phenylmethyl]-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-[(R)-(4-bromophenyl)-(4,7-dihydro-1H-indol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 24874069
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204
N-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide
CID 102281478
4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 134952770
N-benzhydryl-4-phenylbenzenesulfonamide
CID 3504321
N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide
CID 78686932
4-fluoro-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 100691319
4-methyl-N-[[(1Z)-8-oxocycloocten-1-yl]-phenylmethyl]benzenesulfonamide
CID 101213725
N-[(S)-[4,4-bis(4-fluorophenyl)-5-oxocyclopenten-1-yl]-(4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 66554417
N-[2-(3,4-dihydronaphthalen-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide
CID 11811529
N-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 134952581

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-4,7-dihydro-1H-indol-2-yl)-phenylmethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(5-fluoro-4,7-dihydro-1H-indol-2-yl)-phenylmethyl]-4-methylbenzenesulfonamide (CID 141268225) is N-[(5-fluoro-4,7-dihydro-1H-indol-2-yl)-phenylmethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(5-fluoro-4,7-dihydro-1H-indol-2-yl)-phenylmethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(5-fluoro-4,7-dihydro-1H-indol-2-yl)-phenylmethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(c2ccccc2)c2cc3c([nH]2)CC=C(F)C3)cc1.
What is the InChIKey of N-[(5-fluoro-4,7-dihydro-1H-indol-2-yl)-phenylmethyl]-4-methylbenzenesulfonamide?
The InChIKey is OOQXFOUAUSLKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2S/c1-15-7-10-19(11-8-15)28(26,27)25-22(16-5-3-2-4-6-16)21-14-17-13-18(23)9-12-20(17)24-21/h2-11,14,22,24-25H,12-13H2,1H3.
What are the key properties of N-[(5-fluoro-4,7-dihydro-1H-indol-2-yl)-phenylmethyl]-4-methylbenzenesulfonamide?
N-[(5-fluoro-4,7-dihydro-1H-indol-2-yl)-phenylmethyl]-4-methylbenzenesulfonamide has a molecular weight of 396.49 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-4,7-dihydro-1H-indol-2-yl)-phenylmethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 141268225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).