1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)sulfamoylmethyl]cyclopropane-1-carboxylic acid

C14H16FNO4S — CID 154766912

IUPAC1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)sulfamoylmethyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CS(=O)(=O)NC2CCc3ccc(F)cc32)CC1
InChIInChI=1S/C14H16FNO4S/c15-10-3-1-9-2-4-12(11(9)7-10)16-21(19,20)8-14(5-6-14)13(17)18/h1,3,7,12,16H,2,4-6,8H2,(H,17,18)
InChIKeyYCMUIAGJADWELZ-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.60
Rot. Bonds5

About 1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)sulfamoylmethyl]cyclopropane-1-carboxylic acid

1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)sulfamoylmethyl]cyclopropane-1-carboxylic acid (PubChem CID 154766912) has the molecular formula C14H16FNO4S and a molecular weight of 313.35 g/mol. Its IUPAC name is 1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)sulfamoylmethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)sulfamoylmethyl]cyclopropane-1-carboxylic acid
PubChem CID154766912
Molecular FormulaC14H16FNO4S
Molecular Weight313.35 g/mol
Exact Mass313.08
IUPAC Name1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)sulfamoylmethyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CS(=O)(=O)NC2CCc3ccc(F)cc32)CC1
InChIInChI=1S/C14H16FNO4S/c15-10-3-1-9-2-4-12(11(9)7-10)16-21(19,20)8-14(5-6-14)13(17)18/h1,3,7,12,16H,2,4-6,8H2,(H,17,18)
InChIKeyYCMUIAGJADWELZ-UHFFFAOYSA-N
XLogP1.60
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)sulfamoylmethyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

methyl 2-[1-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]sulfamoylmethyl]cyclopropyl]acetate
CID 95788631
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618833
N-[4-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]sulfamoyl]phenyl]acetamide
CID 95317507
methyl 1-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoylmethyl)cyclopropane-1-carboxylate
CID 126823488
7-fluoro-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 115026714
N-cyclopropyl-6-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83907357
1-[3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-methylsulfonylphenyl]ethanone
CID 124886101
(2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 103922385
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-2-phenylacetamide
CID 111538143
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(methylsulfamoyl)benzamide
CID 56782488
(2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906577
2-(2,3-dihydro-1H-inden-1-yl)-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955821

Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)sulfamoylmethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)sulfamoylmethyl]cyclopropane-1-carboxylic acid (CID 154766912) is 1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)sulfamoylmethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)sulfamoylmethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)sulfamoylmethyl]cyclopropane-1-carboxylic acid is O=C(O)C1(CS(=O)(=O)NC2CCc3ccc(F)cc32)CC1.
What is the InChIKey of 1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)sulfamoylmethyl]cyclopropane-1-carboxylic acid?
The InChIKey is YCMUIAGJADWELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4S/c15-10-3-1-9-2-4-12(11(9)7-10)16-21(19,20)8-14(5-6-14)13(17)18/h1,3,7,12,16H,2,4-6,8H2,(H,17,18).
What are the key properties of 1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)sulfamoylmethyl]cyclopropane-1-carboxylic acid?
1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)sulfamoylmethyl]cyclopropane-1-carboxylic acid has a molecular weight of 313.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)sulfamoylmethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 154766912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).