1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxylic acid

C16H18N2O4S — CID 11522844

IUPAC1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2cccc3cccnc23)CCCCC1
InChIInChI=1S/C16H18N2O4S/c19-15(20)16(9-2-1-3-10-16)18-23(21,22)13-8-4-6-12-7-5-11-17-14(12)13/h4-8,11,18H,1-3,9-10H2,(H,19,20)
InChIKeySQOAGFMLTLFKOO-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.30
Rot. Bonds4

About 1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxylic acid

1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxylic acid (PubChem CID 11522844) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxylic acid
PubChem CID11522844
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2cccc3cccnc23)CCCCC1
InChIInChI=1S/C16H18N2O4S/c19-15(20)16(9-2-1-3-10-16)18-23(21,22)13-8-4-6-12-7-5-11-17-14(12)13/h4-8,11,18H,1-3,9-10H2,(H,19,20)
InChIKeySQOAGFMLTLFKOO-UHFFFAOYSA-N
XLogP2.30
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 71246696
N-(2-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxamide
CID 71247729
N-(1-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclobutane-1-carboxamide
CID 90294344
N-[1-(aminomethyl)cyclopentyl]quinoline-8-sulfonamide
CID 75431004
1-[(8-methylquinolin-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid
CID 115578255
1-(3-quinolin-8-ylprop-2-enoylamino)cyclohexane-1-carboxylic acid
CID 91942315
N-cycloheptylquinoline-8-sulfonamide
CID 3244108
1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 114598246
3-ethyl-6-[[1-(quinolin-8-ylsulfonylamino)cyclohexanecarbonyl]amino]bicyclo[3.3.1]nonane-1-carboxamide
CID 71249090
1-[(2-bromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 71246784
1-(quinolin-8-ylmethyl)cycloheptane-1-carboxylic acid
CID 79423211
1-[(3-fluoro-2-pyridinyl)sulfonylamino]cyclopropane-1-carboxylic acid
CID 103298837

Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxylic acid (CID 11522844) is 1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2cccc3cccnc23)CCCCC1.
What is the InChIKey of 1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is SQOAGFMLTLFKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c19-15(20)16(9-2-1-3-10-16)18-23(21,22)13-8-4-6-12-7-5-11-17-14(12)13/h4-8,11,18H,1-3,9-10H2,(H,19,20).
What are the key properties of 1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxylic acid?
1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 334.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 11522844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).