2-(benzylsulfonylamino)cyclohexane-1-carboxylic acid

C14H19NO4S — CID 64816835

IUPAC2-(benzylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H19NO4S/c16-14(17)12-8-4-5-9-13(12)15-20(18,19)10-11-6-2-1-3-7-11/h1-3,6-7,12-13,15H,4-5,8-10H2,(H,16,17)
InChIKeyVBCQTHCAMYBABT-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.75
Rot. Bonds5

About 2-(benzylsulfonylamino)cyclohexane-1-carboxylic acid

2-(benzylsulfonylamino)cyclohexane-1-carboxylic acid (PubChem CID 64816835) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(benzylsulfonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(benzylsulfonylamino)cyclohexane-1-carboxylic acid
PubChem CID64816835
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-(benzylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H19NO4S/c16-14(17)12-8-4-5-9-13(12)15-20(18,19)10-11-6-2-1-3-7-11/h1-3,6-7,12-13,15H,4-5,8-10H2,(H,16,17)
InChIKeyVBCQTHCAMYBABT-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-(benzylamino)cyclohexane-1-carboxylic acid;hydrochloride
CID 131856617
cis-(1R,2S)-2-benzylcyclohexane-1-carboxylic acid
CID 71363465
2-phenyl-N-[(1S,2S)-2-[(2-phenylacetyl)amino]cyclohexyl]acetamide
CID 1011315
2-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid
CID 64816256
2-[(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid
CID 18417096
2-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818390
(3S,4R)-4-[(4-fluorophenyl)methylsulfonylamino]oxolane-3-carboxylic acid
CID 167938884
2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 22019722
2-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818002
2-(thiophen-2-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 64816831
N-(1-cyclopentylpiperidin-4-yl)-1-phenylmethanesulfonamide
CID 110752104
2-(2-methylsulfonylanilino)cyclohexane-1-carboxylic acid
CID 64816669

Frequently Asked Questions

What is the IUPAC name of 2-(benzylsulfonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(benzylsulfonylamino)cyclohexane-1-carboxylic acid (CID 64816835) is 2-(benzylsulfonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(benzylsulfonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(benzylsulfonylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-(benzylsulfonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is VBCQTHCAMYBABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c16-14(17)12-8-4-5-9-13(12)15-20(18,19)10-11-6-2-1-3-7-11/h1-3,6-7,12-13,15H,4-5,8-10H2,(H,16,17).
What are the key properties of 2-(benzylsulfonylamino)cyclohexane-1-carboxylic acid?
2-(benzylsulfonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylsulfonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64816835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).