N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide

C15H19FN2O2S — CID 113085087

IUPACN-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C15H19FN2O2S/c1-2-7-21(19,20)18-10-15(5-6-15)13-9-17-14-4-3-11(16)8-12(13)14/h3-4,8-9,17-18H,2,5-7,10H2,1H3
InChIKeyLAJXPCIAQMQMKC-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.67
Rot. Bonds6

About N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide

N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide (PubChem CID 113085087) has the molecular formula C15H19FN2O2S and a molecular weight of 310.39 g/mol. Its IUPAC name is N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide
PubChem CID113085087
Molecular FormulaC15H19FN2O2S
Molecular Weight310.39 g/mol
Exact Mass310.12
IUPAC NameN-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C15H19FN2O2S/c1-2-7-21(19,20)18-10-15(5-6-15)13-9-17-14-4-3-11(16)8-12(13)14/h3-4,8-9,17-18H,2,5-7,10H2,1H3
InChIKeyLAJXPCIAQMQMKC-UHFFFAOYSA-N
XLogP2.67
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]ethanesulfonamide
CID 113085086
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide
CID 113085017
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide
CID 113085407
4-ethyl-N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide
CID 113085390
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide
CID 113084771
4-bromo-N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113085038
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 113085412
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]-2,5-dimethylbenzenesulfonamide
CID 113085389
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]-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

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide (CID 113085087) is N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC1(c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide?
The InChIKey is LAJXPCIAQMQMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2S/c1-2-7-21(19,20)18-10-15(5-6-15)13-9-17-14-4-3-11(16)8-12(13)14/h3-4,8-9,17-18H,2,5-7,10H2,1H3.
What are the key properties of N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide?
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide has a molecular weight of 310.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 113085087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).