6-[(2-ethyl-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylic acid

C15H18FNO4S — CID 142066456

IUPAC6-[(2-ethyl-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylic acid
SMILESCCc1cc(F)ccc1NS(=O)(=O)C1CCCC=C1C(=O)O
InChIInChI=1S/C15H18FNO4S/c1-2-10-9-11(16)7-8-13(10)17-22(20,21)14-6-4-3-5-12(14)15(18)19/h5,7-9,14,17H,2-4,6H2,1H3,(H,18,19)
InChIKeyRLYGWUVPHGYLEW-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.69
Rot. Bonds5

About 6-[(2-ethyl-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylic acid

6-[(2-ethyl-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylic acid (PubChem CID 142066456) has the molecular formula C15H18FNO4S and a molecular weight of 327.38 g/mol. Its IUPAC name is 6-[(2-ethyl-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name6-[(2-ethyl-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylic acid
PubChem CID142066456
Molecular FormulaC15H18FNO4S
Molecular Weight327.38 g/mol
Exact Mass327.09
IUPAC Name6-[(2-ethyl-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylic acid
SMILESCCc1cc(F)ccc1NS(=O)(=O)C1CCCC=C1C(=O)O
InChIInChI=1S/C15H18FNO4S/c1-2-10-9-11(16)7-8-13(10)17-22(20,21)14-6-4-3-5-12(14)15(18)19/h5,7-9,14,17H,2-4,6H2,1H3,(H,18,19)
InChIKeyRLYGWUVPHGYLEW-UHFFFAOYSA-N
XLogP2.69
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (6S)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate
CID 11545031
6-[[2-(trifluoromethoxy)phenyl]sulfamoyl]cyclohexene-1-carboxylic acid
CID 150523334
(2S,3S)-8-[(4-fluoro-2-heptylphenyl)sulfamoyl]-2,3-bis(hydroxymethyl)-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid
CID 68927802
N-(2,4-difluorophenyl)-2-propan-2-ylcyclohex-2-ene-1-sulfonamide
CID 141012068
(2R,3R)-8-[(2,4-difluorophenyl)sulfamoyl]-3-ethyl-2,3-bis(hydroxymethyl)-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid
CID 67191024
N-[2-(aminomethyl)-4-fluorophenyl]cyclopropanesulfonamide
CID 82014016
6-[(2,5-dibromopyrrol-1-yl)sulfamoyl]cyclohexene-1-carboxylic acid
CID 123452368
[(1R)-1-(4-nitrophenyl)ethyl] (6S)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate
CID 11634422
(2R,3R)-8-[(2-bromo-4-fluorophenyl)sulfamoyl]-3-ethyl-2,3-bis(hydroxymethyl)-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid
CID 67190344
9-[(2-chloro-4-fluorophenyl)sulfamoyl]-1,5-dithiaspiro[5.5]undec-10-ene-10-carboxylic acid
CID 89267732
1-[(1S)-cyclohex-2-en-1-yl]-3-[4-fluoro-2-(methylsulfonylmethyl)phenyl]urea
CID 97000997
ethyl 6-[(2-chloro-4-fluorophenyl)sulfamoyl]-2,4,4-trideuteriocyclohexene-1-carboxylate
CID 25206437

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethyl-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylic acid?
The IUPAC name of 6-[(2-ethyl-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylic acid (CID 142066456) is 6-[(2-ethyl-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylic acid.
What is the SMILES notation for 6-[(2-ethyl-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylic acid?
The canonical SMILES for 6-[(2-ethyl-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylic acid is CCc1cc(F)ccc1NS(=O)(=O)C1CCCC=C1C(=O)O.
What is the InChIKey of 6-[(2-ethyl-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylic acid?
The InChIKey is RLYGWUVPHGYLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4S/c1-2-10-9-11(16)7-8-13(10)17-22(20,21)14-6-4-3-5-12(14)15(18)19/h5,7-9,14,17H,2-4,6H2,1H3,(H,18,19).
What are the key properties of 6-[(2-ethyl-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylic acid?
6-[(2-ethyl-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethyl-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylic acid is sourced from PubChem (CID 142066456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).