6-[[2-(trifluoromethoxy)phenyl]sulfamoyl]cyclohexene-1-carboxylic acid

C14H14F3NO5S — CID 150523334

IUPAC6-[[2-(trifluoromethoxy)phenyl]sulfamoyl]cyclohexene-1-carboxylic acid
SMILESO=C(O)C1=CCCCC1S(=O)(=O)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C14H14F3NO5S/c15-14(16,17)23-11-7-3-2-6-10(11)18-24(21,22)12-8-4-1-5-9(12)13(19)20/h2-3,5-7,12,18H,1,4,8H2,(H,19,20)
InChIKeyICHMLMASGXOEFB-UHFFFAOYSA-N
MW365.33 g/mol
LogP2.89
Rot. Bonds5

About 6-[[2-(trifluoromethoxy)phenyl]sulfamoyl]cyclohexene-1-carboxylic acid

6-[[2-(trifluoromethoxy)phenyl]sulfamoyl]cyclohexene-1-carboxylic acid (PubChem CID 150523334) has the molecular formula C14H14F3NO5S and a molecular weight of 365.33 g/mol. Its IUPAC name is 6-[[2-(trifluoromethoxy)phenyl]sulfamoyl]cyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(trifluoromethoxy)phenyl]sulfamoyl]cyclohexene-1-carboxylic acid
PubChem CID150523334
Molecular FormulaC14H14F3NO5S
Molecular Weight365.33 g/mol
Exact Mass365.05
IUPAC Name6-[[2-(trifluoromethoxy)phenyl]sulfamoyl]cyclohexene-1-carboxylic acid
SMILESO=C(O)C1=CCCCC1S(=O)(=O)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C14H14F3NO5S/c15-14(16,17)23-11-7-3-2-6-10(11)18-24(21,22)12-8-4-1-5-9(12)13(19)20/h2-3,5-7,12,18H,1,4,8H2,(H,19,20)
InChIKeyICHMLMASGXOEFB-UHFFFAOYSA-N
XLogP2.89
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-ethyl-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylic acid
CID 142066456
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
6-[(2,5-dibromopyrrol-1-yl)sulfamoyl]cyclohexene-1-carboxylic acid
CID 123452368
N-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 18072094
(E)-2-phenyl-N-[2-(trifluoromethoxy)phenyl]ethenesulfonamide
CID 25335043
N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47201193
N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 28577768
N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline
CID 43560291
4-[2-(trifluoromethoxy)anilino]benzoic acid
CID 62232189
1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[2-(trifluoromethoxy)phenyl]urea
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4-(cyclopropylsulfamoyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 35203522
1-methylsulfonyl-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide
CID 90513254

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(trifluoromethoxy)phenyl]sulfamoyl]cyclohexene-1-carboxylic acid?
The IUPAC name of 6-[[2-(trifluoromethoxy)phenyl]sulfamoyl]cyclohexene-1-carboxylic acid (CID 150523334) is 6-[[2-(trifluoromethoxy)phenyl]sulfamoyl]cyclohexene-1-carboxylic acid.
What is the SMILES notation for 6-[[2-(trifluoromethoxy)phenyl]sulfamoyl]cyclohexene-1-carboxylic acid?
The canonical SMILES for 6-[[2-(trifluoromethoxy)phenyl]sulfamoyl]cyclohexene-1-carboxylic acid is O=C(O)C1=CCCCC1S(=O)(=O)Nc1ccccc1OC(F)(F)F.
What is the InChIKey of 6-[[2-(trifluoromethoxy)phenyl]sulfamoyl]cyclohexene-1-carboxylic acid?
The InChIKey is ICHMLMASGXOEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO5S/c15-14(16,17)23-11-7-3-2-6-10(11)18-24(21,22)12-8-4-1-5-9(12)13(19)20/h2-3,5-7,12,18H,1,4,8H2,(H,19,20).
What are the key properties of 6-[[2-(trifluoromethoxy)phenyl]sulfamoyl]cyclohexene-1-carboxylic acid?
6-[[2-(trifluoromethoxy)phenyl]sulfamoyl]cyclohexene-1-carboxylic acid has a molecular weight of 365.33 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(trifluoromethoxy)phenyl]sulfamoyl]cyclohexene-1-carboxylic acid is sourced from PubChem (CID 150523334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).