N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-ylbenzenesulfonamide

C21H23FN2O2S — CID 113085392

IUPACN-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCC2(c3c[nH]c4cc(F)ccc34)CC2)cc1
InChIInChI=1S/C21H23FN2O2S/c1-14(2)15-3-6-17(7-4-15)27(25,26)24-13-21(9-10-21)19-12-23-20-11-16(22)5-8-18(19)20/h3-8,11-12,14,23-24H,9-10,13H2,1-2H3
InChIKeyRUHJTMISYSIZSB-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.44
Rot. Bonds6

About N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-ylbenzenesulfonamide

N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 113085392) has the molecular formula C21H23FN2O2S and a molecular weight of 386.49 g/mol. Its IUPAC name is N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID113085392
Molecular FormulaC21H23FN2O2S
Molecular Weight386.49 g/mol
Exact Mass386.15
IUPAC NameN-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCC2(c3c[nH]c4cc(F)ccc34)CC2)cc1
InChIInChI=1S/C21H23FN2O2S/c1-14(2)15-3-6-17(7-4-15)27(25,26)24-13-21(9-10-21)19-12-23-20-11-16(22)5-8-18(19)20/h3-8,11-12,14,23-24H,9-10,13H2,1-2H3
InChIKeyRUHJTMISYSIZSB-UHFFFAOYSA-N
XLogP4.44
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide
CID 113085390
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 113085412
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,5-dimethylbenzenesulfonamide
CID 113085389
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113085410
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113085398
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 4997493
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]ethanesulfonamide
CID 113085086
3,4-dichloro-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide
CID 113084752
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide
CID 113085087
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide
CID 113085193
4-ethyl-N-[[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide
CID 113085291
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113085321

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-ylbenzenesulfonamide (CID 113085392) is N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NCC2(c3c[nH]c4cc(F)ccc34)CC2)cc1.
What is the InChIKey of N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is RUHJTMISYSIZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2S/c1-14(2)15-3-6-17(7-4-15)27(25,26)24-13-21(9-10-21)19-12-23-20-11-16(22)5-8-18(19)20/h3-8,11-12,14,23-24H,9-10,13H2,1-2H3.
What are the key properties of N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-ylbenzenesulfonamide?
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 386.49 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 113085392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).