4-[[3-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid

C16H20FNO6S — CID 122101413

IUPAC4-[[3-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCOC(=O)Cc1ccc(S(=O)(=O)NC2CCC(C(=O)O)CC2)cc1F
InChIInChI=1S/C16H20FNO6S/c1-24-15(19)8-11-4-7-13(9-14(11)17)25(22,23)18-12-5-2-10(3-6-12)16(20)21/h4,7,9-10,12,18H,2-3,5-6,8H2,1H3,(H,20,21)
InChIKeyHJVIVEKMCDULEM-UHFFFAOYSA-N
MW373.40 g/mol
LogP1.46
Rot. Bonds6

About 4-[[3-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid

4-[[3-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 122101413) has the molecular formula C16H20FNO6S and a molecular weight of 373.40 g/mol. Its IUPAC name is 4-[[3-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID122101413
Molecular FormulaC16H20FNO6S
Molecular Weight373.40 g/mol
Exact Mass373.10
IUPAC Name4-[[3-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCOC(=O)Cc1ccc(S(=O)(=O)NC2CCC(C(=O)O)CC2)cc1F
InChIInChI=1S/C16H20FNO6S/c1-24-15(19)8-11-4-7-13(9-14(11)17)25(22,23)18-12-5-2-10(3-6-12)16(20)21/h4,7,9-10,12,18H,2-3,5-6,8H2,1H3,(H,20,21)
InChIKeyHJVIVEKMCDULEM-UHFFFAOYSA-N
XLogP1.46
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 122071165
4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808728
methyl 2-[2-fluoro-4-[(4-hydroxycyclohexyl)sulfamoyl]phenoxy]acetate
CID 100814389
4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808567
3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031557
4-[(2,6-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60809042
4-[(3-bromophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60809051
methyl 4-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 115617309
methyl 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylate
CID 58291888
2-[[3-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]sulfonyl-propan-2-ylamino]acetic acid
CID 122101480
4-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 122071108
4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 120782359

Frequently Asked Questions

What is the IUPAC name of 4-[[3-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid (CID 122101413) is 4-[[3-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid is COC(=O)Cc1ccc(S(=O)(=O)NC2CCC(C(=O)O)CC2)cc1F.
What is the InChIKey of 4-[[3-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is HJVIVEKMCDULEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO6S/c1-24-15(19)8-11-4-7-13(9-14(11)17)25(22,23)18-12-5-2-10(3-6-12)16(20)21/h4,7,9-10,12,18H,2-3,5-6,8H2,1H3,(H,20,21).
What are the key properties of 4-[[3-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
4-[[3-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 373.40 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122101413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).