cyclohexyl 4-(quinolin-8-ylsulfonylamino)benzoate

C22H22N2O4S — CID 7573617

IUPACcyclohexyl 4-(quinolin-8-ylsulfonylamino)benzoate
SMILESO=C(OC1CCCCC1)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C22H22N2O4S/c25-22(28-19-8-2-1-3-9-19)17-11-13-18(14-12-17)24-29(26,27)20-10-4-6-16-7-5-15-23-21(16)20/h4-7,10-15,19,24H,1-3,8-9H2
InChIKeyKBZWWKLUCSSEDO-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.53
Rot. Bonds5

About cyclohexyl 4-(quinolin-8-ylsulfonylamino)benzoate

cyclohexyl 4-(quinolin-8-ylsulfonylamino)benzoate (PubChem CID 7573617) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is cyclohexyl 4-(quinolin-8-ylsulfonylamino)benzoate.

Molecular Properties

Compound Namecyclohexyl 4-(quinolin-8-ylsulfonylamino)benzoate
PubChem CID7573617
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Namecyclohexyl 4-(quinolin-8-ylsulfonylamino)benzoate
SMILESO=C(OC1CCCCC1)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C22H22N2O4S/c25-22(28-19-8-2-1-3-9-19)17-11-13-18(14-12-17)24-29(26,27)20-10-4-6-16-7-5-15-23-21(16)20/h4-7,10-15,19,24H,1-3,8-9H2
InChIKeyKBZWWKLUCSSEDO-UHFFFAOYSA-N
XLogP4.53
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl] pyridine-2-carboxylate
CID 57383378
N-cycloheptylquinoline-8-sulfonamide
CID 3244108
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
2-(diethylamino)ethyl 4-(quinolin-8-ylsulfonylamino)benzoate
CID 22204194
oxolan-3-yl 4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
CID 59634750
cyclopentyl 4-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
CID 59634947
N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
N-[4-[(2R)-4-(cyclohexylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 57410817
N-(2-hydroxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide
CID 5045370
N-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide
CID 4259954
(1R,6S)-N-quinolin-8-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide
CID 96565285
N-[4-[4-[[(2S)-oxan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 57410204

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-(quinolin-8-ylsulfonylamino)benzoate?
The IUPAC name of cyclohexyl 4-(quinolin-8-ylsulfonylamino)benzoate (CID 7573617) is cyclohexyl 4-(quinolin-8-ylsulfonylamino)benzoate.
What is the SMILES notation for cyclohexyl 4-(quinolin-8-ylsulfonylamino)benzoate?
The canonical SMILES for cyclohexyl 4-(quinolin-8-ylsulfonylamino)benzoate is O=C(OC1CCCCC1)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of cyclohexyl 4-(quinolin-8-ylsulfonylamino)benzoate?
The InChIKey is KBZWWKLUCSSEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c25-22(28-19-8-2-1-3-9-19)17-11-13-18(14-12-17)24-29(26,27)20-10-4-6-16-7-5-15-23-21(16)20/h4-7,10-15,19,24H,1-3,8-9H2.
What are the key properties of cyclohexyl 4-(quinolin-8-ylsulfonylamino)benzoate?
cyclohexyl 4-(quinolin-8-ylsulfonylamino)benzoate has a molecular weight of 410.50 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-(quinolin-8-ylsulfonylamino)benzoate is sourced from PubChem (CID 7573617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).