N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,5-dimethylbenzenesulfonamide

C20H21FN2O2S — CID 113085389

IUPACN-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC2(c3c[nH]c4cc(F)ccc34)CC2)c1
InChIInChI=1S/C20H21FN2O2S/c1-13-3-4-14(2)19(9-13)26(24,25)23-12-20(7-8-20)17-11-22-18-10-15(21)5-6-16(17)18/h3-6,9-11,22-23H,7-8,12H2,1-2H3
InChIKeyAGBIESAYLWZECB-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.93
Rot. Bonds5

About N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,5-dimethylbenzenesulfonamide

N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 113085389) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,5-dimethylbenzenesulfonamide
PubChem CID113085389
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC NameN-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC2(c3c[nH]c4cc(F)ccc34)CC2)c1
InChIInChI=1S/C20H21FN2O2S/c1-13-3-4-14(2)19(9-13)26(24,25)23-12-20(7-8-20)17-11-22-18-10-15(21)5-6-16(17)18/h3-6,9-11,22-23H,7-8,12H2,1-2H3
InChIKeyAGBIESAYLWZECB-UHFFFAOYSA-N
XLogP3.93
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-methoxy-5-methylbenzenesulfonamide
CID 113085398
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]-4-propan-2-ylbenzenesulfonamide
CID 113085392
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113085410
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 27451515
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]ethanesulfonamide
CID 113085086
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide
CID 113085407
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 113085207
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide
CID 113085087
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,6-dimethoxybenzamide
CID 113085336
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]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,5-dimethylbenzenesulfonamide (CID 113085389) is N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCC2(c3c[nH]c4cc(F)ccc34)CC2)c1.
What is the InChIKey of N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is AGBIESAYLWZECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c1-13-3-4-14(2)19(9-13)26(24,25)23-12-20(7-8-20)17-11-22-18-10-15(21)5-6-16(17)18/h3-6,9-11,22-23H,7-8,12H2,1-2H3.
What are the key properties of N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,5-dimethylbenzenesulfonamide?
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 372.47 g/mol, XLogP of 3.93, 5 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]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 113085389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).