2-[(4-cyclohexylphenyl)sulfonylamino]oxyacetic acid

C14H19NO5S — CID 60661371

IUPAC2-[(4-cyclohexylphenyl)sulfonylamino]oxyacetic acid
SMILESO=C(O)CONS(=O)(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H19NO5S/c16-14(17)10-20-15-21(18,19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11,15H,1-5,10H2,(H,16,17)
InChIKeyBMPNCXXJYRFSKN-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.03
Rot. Bonds6

About 2-[(4-cyclohexylphenyl)sulfonylamino]oxyacetic acid

2-[(4-cyclohexylphenyl)sulfonylamino]oxyacetic acid (PubChem CID 60661371) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-[(4-cyclohexylphenyl)sulfonylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(4-cyclohexylphenyl)sulfonylamino]oxyacetic acid
PubChem CID60661371
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name2-[(4-cyclohexylphenyl)sulfonylamino]oxyacetic acid
SMILESO=C(O)CONS(=O)(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H19NO5S/c16-14(17)10-20-15-21(18,19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11,15H,1-5,10H2,(H,16,17)
InChIKeyBMPNCXXJYRFSKN-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-bromophenyl)sulfonylamino]oxyacetic acid
CID 60661242
2-[(4-acetylphenyl)sulfonylamino]oxyacetic acid
CID 60661455
2-(4-cyclopentylphenoxy)acetic acid
CID 23274257
(2S)-2-[(4-cyclohexylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 45290696
propan-2-yl 4-[(4-cyclohexylphenyl)sulfonylamino]benzoate
CID 7938910
4-cyclohexyl-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]benzamide
CID 52685874
N-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-2-methylpropanamide
CID 33145606
N-(4-cyclohexylphenyl)sulfonyl-5-(methoxymethyl)furan-2-carboxamide
CID 78895807
4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 24656637
4-cyclohexyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960370
N-(2-aminobutyl)-4-cyclohexylbenzenesulfonamide
CID 63731804
2-(4-cycloheptylphenyl)acetic acid
CID 21484425

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclohexylphenyl)sulfonylamino]oxyacetic acid?
The IUPAC name of 2-[(4-cyclohexylphenyl)sulfonylamino]oxyacetic acid (CID 60661371) is 2-[(4-cyclohexylphenyl)sulfonylamino]oxyacetic acid.
What is the SMILES notation for 2-[(4-cyclohexylphenyl)sulfonylamino]oxyacetic acid?
The canonical SMILES for 2-[(4-cyclohexylphenyl)sulfonylamino]oxyacetic acid is O=C(O)CONS(=O)(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 2-[(4-cyclohexylphenyl)sulfonylamino]oxyacetic acid?
The InChIKey is BMPNCXXJYRFSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c16-14(17)10-20-15-21(18,19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11,15H,1-5,10H2,(H,16,17).
What are the key properties of 2-[(4-cyclohexylphenyl)sulfonylamino]oxyacetic acid?
2-[(4-cyclohexylphenyl)sulfonylamino]oxyacetic acid has a molecular weight of 313.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclohexylphenyl)sulfonylamino]oxyacetic acid is sourced from PubChem (CID 60661371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).