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

C14H19NO4S — CID 65345488

IUPAC2-[3-(cyclohexylsulfonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NS(=O)(=O)C2CCCCC2)c1
InChIInChI=1S/C14H19NO4S/c16-14(17)10-11-5-4-6-12(9-11)15-20(18,19)13-7-2-1-3-8-13/h4-6,9,13,15H,1-3,7-8,10H2,(H,16,17)
InChIKeyJBUKQNTWUCCOPT-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.39
Rot. Bonds5

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

2-[3-(cyclohexylsulfonylamino)phenyl]acetic acid (PubChem CID 65345488) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[3-(cyclohexylsulfonylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(cyclohexylsulfonylamino)phenyl]acetic acid
PubChem CID65345488
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-[3-(cyclohexylsulfonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NS(=O)(=O)C2CCCCC2)c1
InChIInChI=1S/C14H19NO4S/c16-14(17)10-11-5-4-6-12(9-11)15-20(18,19)13-7-2-1-3-8-13/h4-6,9,13,15H,1-3,7-8,10H2,(H,16,17)
InChIKeyJBUKQNTWUCCOPT-UHFFFAOYSA-N
XLogP2.39
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid
CID 54424546
N-(3-aminophenyl)cyclopentanesulfonamide
CID 105360531
2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid
CID 65350284
3-[4-(cyclopentylsulfonylamino)phenyl]propanoic acid
CID 105360943
3-[2-[(3S)-5-[3-(cyclopentylsulfonylamino)phenyl]-3-hydroxypentoxy]phenyl]propanoic acid
CID 146319060
2-[3-(tert-butylsulfamoylamino)phenyl]acetic acid
CID 113421766
N-[3-(hydroxymethyl)phenyl]oxane-4-sulfonamide
CID 55031487
3-(cyclohexylsulfonylamino)benzenecarbothioamide
CID 61066190
2-[3-[(2-hydroxyphenyl)sulfonylamino]phenyl]acetic acid
CID 23061993
[3-[3-(cyclohexylsulfonylamino)phenyl]-3-hydroxypropyl]carbamic acid
CID 67296705
2-[3-[(2-cyclohexylcyclopropanecarbonyl)amino]phenyl]acetic acid
CID 119351630
2-[3-[(5-methylfuran-2-yl)sulfonylamino]phenyl]acetic acid
CID 155946485

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylsulfonylamino)phenyl]acetic acid?
The IUPAC name of 2-[3-(cyclohexylsulfonylamino)phenyl]acetic acid (CID 65345488) is 2-[3-(cyclohexylsulfonylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(cyclohexylsulfonylamino)phenyl]acetic acid?
The canonical SMILES for 2-[3-(cyclohexylsulfonylamino)phenyl]acetic acid is O=C(O)Cc1cccc(NS(=O)(=O)C2CCCCC2)c1.
What is the InChIKey of 2-[3-(cyclohexylsulfonylamino)phenyl]acetic acid?
The InChIKey is JBUKQNTWUCCOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c16-14(17)10-11-5-4-6-12(9-11)15-20(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)phenyl]acetic acid?
2-[3-(cyclohexylsulfonylamino)phenyl]acetic acid has a molecular weight of 297.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylsulfonylamino)phenyl]acetic acid is sourced from PubChem (CID 65345488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).