2-[4-[(4,4-difluorocyclohexyl)-methylsulfamoyl]-2-fluorophenoxy]acetic acid

C15H18F3NO5S — CID 167760885

IUPAC2-[4-[(4,4-difluorocyclohexyl)-methylsulfamoyl]-2-fluorophenoxy]acetic acid
SMILESCN(C1CCC(F)(F)CC1)S(=O)(=O)c1ccc(OCC(=O)O)c(F)c1
InChIInChI=1S/C15H18F3NO5S/c1-19(10-4-6-15(17,18)7-5-10)25(22,23)11-2-3-13(12(16)8-11)24-9-14(20)21/h2-3,8,10H,4-7,9H2,1H3,(H,20,21)
InChIKeyLOKSCPITLJUXDQ-UHFFFAOYSA-N
MW381.37 g/mol
LogP2.49
Rot. Bonds6

About 2-[4-[(4,4-difluorocyclohexyl)-methylsulfamoyl]-2-fluorophenoxy]acetic acid

2-[4-[(4,4-difluorocyclohexyl)-methylsulfamoyl]-2-fluorophenoxy]acetic acid (PubChem CID 167760885) has the molecular formula C15H18F3NO5S and a molecular weight of 381.37 g/mol. Its IUPAC name is 2-[4-[(4,4-difluorocyclohexyl)-methylsulfamoyl]-2-fluorophenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(4,4-difluorocyclohexyl)-methylsulfamoyl]-2-fluorophenoxy]acetic acid
PubChem CID167760885
Molecular FormulaC15H18F3NO5S
Molecular Weight381.37 g/mol
Exact Mass381.09
IUPAC Name2-[4-[(4,4-difluorocyclohexyl)-methylsulfamoyl]-2-fluorophenoxy]acetic acid
SMILESCN(C1CCC(F)(F)CC1)S(=O)(=O)c1ccc(OCC(=O)O)c(F)c1
InChIInChI=1S/C15H18F3NO5S/c1-19(10-4-6-15(17,18)7-5-10)25(22,23)11-2-3-13(12(16)8-11)24-9-14(20)21/h2-3,8,10H,4-7,9H2,1H3,(H,20,21)
InChIKeyLOKSCPITLJUXDQ-UHFFFAOYSA-N
XLogP2.49
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-4-[(3-methoxycyclobutyl)-methylsulfamoyl]phenoxy]acetic acid
CID 136581985
2-[2-fluoro-4-(3-oxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenoxy]acetic acid
CID 154744045
2-cyclopropyl-N-[2-(2-fluoro-4-sulfamoylphenoxy)ethyl]-N-methylpropanamide
CID 126815373
2-[2-(3,5-difluorophenyl)-4-[[(3-fluoro-4-methoxyphenyl)sulfonyl-methylamino]methyl]phenoxy]acetic acid
CID 46899076
2-(3-fluoro-4-methoxyphenyl)sulfonyloxyacetic acid
CID 82049845
2-[4-[methyl(thiolan-3-yl)sulfamoyl]phenoxy]acetic acid
CID 43296540
3,4-difluoro-N-methyl-N-(4-oxocyclohexyl)benzenesulfonamide
CID 79119655
tert-butyl 4-[(3-fluoro-4-methylphenyl)sulfonyl-methylamino]piperidine-1-carboxylate
CID 60539981
2-fluoro-5-[methyl(piperidin-4-yl)sulfamoyl]benzoic acid
CID 61403448
4-[2-(dimethylamino)ethoxy]-3-fluorobenzenesulfonamide
CID 82921210
2-[4-[[(2S,3R)-2-ethenyloxan-3-yl]sulfamoyl]-2-fluorophenoxy]acetic acid
CID 154805578
2-[(3-fluoro-4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 62032432

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4,4-difluorocyclohexyl)-methylsulfamoyl]-2-fluorophenoxy]acetic acid?
The IUPAC name of 2-[4-[(4,4-difluorocyclohexyl)-methylsulfamoyl]-2-fluorophenoxy]acetic acid (CID 167760885) is 2-[4-[(4,4-difluorocyclohexyl)-methylsulfamoyl]-2-fluorophenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(4,4-difluorocyclohexyl)-methylsulfamoyl]-2-fluorophenoxy]acetic acid?
The canonical SMILES for 2-[4-[(4,4-difluorocyclohexyl)-methylsulfamoyl]-2-fluorophenoxy]acetic acid is CN(C1CCC(F)(F)CC1)S(=O)(=O)c1ccc(OCC(=O)O)c(F)c1.
What is the InChIKey of 2-[4-[(4,4-difluorocyclohexyl)-methylsulfamoyl]-2-fluorophenoxy]acetic acid?
The InChIKey is LOKSCPITLJUXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO5S/c1-19(10-4-6-15(17,18)7-5-10)25(22,23)11-2-3-13(12(16)8-11)24-9-14(20)21/h2-3,8,10H,4-7,9H2,1H3,(H,20,21).
What are the key properties of 2-[4-[(4,4-difluorocyclohexyl)-methylsulfamoyl]-2-fluorophenoxy]acetic acid?
2-[4-[(4,4-difluorocyclohexyl)-methylsulfamoyl]-2-fluorophenoxy]acetic acid has a molecular weight of 381.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4,4-difluorocyclohexyl)-methylsulfamoyl]-2-fluorophenoxy]acetic acid is sourced from PubChem (CID 167760885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).