2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid

C14H19NO5S — CID 54424546

IUPAC2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NS(=O)(=O)C2CCCCC2)c1
InChIInChI=1S/C14H19NO5S/c16-14(17)10-20-12-6-4-5-11(9-12)15-21(18,19)13-7-2-1-3-8-13/h4-6,9,13,15H,1-3,7-8,10H2,(H,16,17)
InChIKeyWDDPXVDMJFQZQD-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.22
Rot. Bonds6

About 2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid

2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid (PubChem CID 54424546) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid
PubChem CID54424546
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NS(=O)(=O)C2CCCCC2)c1
InChIInChI=1S/C14H19NO5S/c16-14(17)10-20-12-6-4-5-11(9-12)15-21(18,19)13-7-2-1-3-8-13/h4-6,9,13,15H,1-3,7-8,10H2,(H,16,17)
InChIKeyWDDPXVDMJFQZQD-UHFFFAOYSA-N
XLogP2.22
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(cyclohexylsulfonylamino)phenyl]acetic acid
CID 65345488
2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid
CID 61057844
2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid
CID 61058468
2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid
CID 17341772
2-[3-[(4,4-dimethylcyclohexyl)sulfonylamino]phenoxy]-N-ethylacetamide
CID 71912046
N-[3-(2-aminoethoxy)phenyl]cyclopropanesulfonamide
CID 64554905
2-[3-[(1,1-dioxothiane-2-carbonyl)amino]phenoxy]acetic acid
CID 120523535
2-[3-(pyrrolidine-2-carbonylamino)phenoxy]acetic acid
CID 55243432
2-[3-[[(2S)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 55243430
2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid
CID 61058726
2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid
CID 102535848
2-[3-[(2-ethylphenyl)sulfonylamino]phenoxy]acetic acid
CID 70066284

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid?
The IUPAC name of 2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid (CID 54424546) is 2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid is O=C(O)COc1cccc(NS(=O)(=O)C2CCCCC2)c1.
What is the InChIKey of 2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid?
The InChIKey is WDDPXVDMJFQZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c16-14(17)10-20-12-6-4-5-11(9-12)15-21(18,19)13-7-2-1-3-8-13/h4-6,9,13,15H,1-3,7-8,10H2,(H,16,17).
What are the key properties of 2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid?
2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid has a molecular weight of 313.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid is sourced from PubChem (CID 54424546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).