N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methoxyethyl)cyclopropane-1-sulfonamide

C15H20FNO3S — CID 136571347

IUPACN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methoxyethyl)cyclopropane-1-sulfonamide
SMILESCOCCC1(S(=O)(=O)NC2CCc3cc(F)ccc32)CC1
InChIInChI=1S/C15H20FNO3S/c1-20-9-8-15(6-7-15)21(18,19)17-14-5-2-11-10-12(16)3-4-13(11)14/h3-4,10,14,17H,2,5-9H2,1H3
InChIKeyDJZGUOFHNKQNTF-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.30
Rot. Bonds6

About N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methoxyethyl)cyclopropane-1-sulfonamide

N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methoxyethyl)cyclopropane-1-sulfonamide (PubChem CID 136571347) has the molecular formula C15H20FNO3S and a molecular weight of 313.39 g/mol. Its IUPAC name is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methoxyethyl)cyclopropane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methoxyethyl)cyclopropane-1-sulfonamide
PubChem CID136571347
Molecular FormulaC15H20FNO3S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methoxyethyl)cyclopropane-1-sulfonamide
SMILESCOCCC1(S(=O)(=O)NC2CCc3cc(F)ccc32)CC1
InChIInChI=1S/C15H20FNO3S/c1-20-9-8-15(6-7-15)21(18,19)17-14-5-2-11-10-12(16)3-4-13(11)14/h3-4,10,14,17H,2,5-9H2,1H3
InChIKeyDJZGUOFHNKQNTF-UHFFFAOYSA-N
XLogP2.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]sulfamoylmethyl]cyclopropyl]acetate
CID 95788631
5-fluoro-N-(4-methoxy-2,2-dimethylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 104628801
methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 116530837
5-fluoro-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 115889805
N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531042
5-fluoro-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 115918170
5-fluoro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-1-amine
CID 116531106
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea
CID 111974189
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methoxyethanesulfonamide
CID 95762243
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438432
N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide
CID 94212219
2-bromo-5-(dimethylamino)-N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
CID 97236677

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methoxyethyl)cyclopropane-1-sulfonamide?
The IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methoxyethyl)cyclopropane-1-sulfonamide (CID 136571347) is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methoxyethyl)cyclopropane-1-sulfonamide.
What is the SMILES notation for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methoxyethyl)cyclopropane-1-sulfonamide?
The canonical SMILES for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methoxyethyl)cyclopropane-1-sulfonamide is COCCC1(S(=O)(=O)NC2CCc3cc(F)ccc32)CC1.
What is the InChIKey of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methoxyethyl)cyclopropane-1-sulfonamide?
The InChIKey is DJZGUOFHNKQNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3S/c1-20-9-8-15(6-7-15)21(18,19)17-14-5-2-11-10-12(16)3-4-13(11)14/h3-4,10,14,17H,2,5-9H2,1H3.
What are the key properties of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methoxyethyl)cyclopropane-1-sulfonamide?
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methoxyethyl)cyclopropane-1-sulfonamide has a molecular weight of 313.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methoxyethyl)cyclopropane-1-sulfonamide is sourced from PubChem (CID 136571347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).