N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide

C21H23FN2O2S — CID 113085407

IUPACN-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCC1(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C21H23FN2O2S/c22-17-8-9-18-19(14-23-20(18)13-17)21(10-11-21)15-24-27(25,26)12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-9,13-14,23-24H,4,7,10-12,15H2
InChIKeyLURMPJONCLXNSP-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.89
Rot. Bonds8

About N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide

N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide (PubChem CID 113085407) 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]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide
PubChem CID113085407
Molecular FormulaC21H23FN2O2S
Molecular Weight386.49 g/mol
Exact Mass386.15
IUPAC NameN-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCC1(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C21H23FN2O2S/c22-17-8-9-18-19(14-23-20(18)13-17)21(10-11-21)15-24-27(25,26)12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-9,13-14,23-24H,4,7,10-12,15H2
InChIKeyLURMPJONCLXNSP-UHFFFAOYSA-N
XLogP3.89
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide
CID 113085496
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide
CID 113084771
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide
CID 113090696
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 113085412
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide
CID 113085087
4-ethyl-N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide
CID 113085390
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]ethanesulfonamide
CID 113085086
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113085321
1-(6-fluoro-1H-indol-3-yl)-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 113211109
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]-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

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide (CID 113085407) is N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide is O=S(=O)(CCCc1ccccc1)NCC1(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is LURMPJONCLXNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2S/c22-17-8-9-18-19(14-23-20(18)13-17)21(10-11-21)15-24-27(25,26)12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-9,13-14,23-24H,4,7,10-12,15H2.
What are the key properties of N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide?
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 386.49 g/mol, XLogP of 3.89, 8 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]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 113085407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).