N-[(1-thiophen-3-ylcyclopentyl)methyl]quinoline-8-sulfonamide

C19H20N2O2S2 — CID 86264405

IUPACN-[(1-thiophen-3-ylcyclopentyl)methyl]quinoline-8-sulfonamide
SMILESO=S(=O)(NCC1(c2ccsc2)CCCC1)c1cccc2cccnc12
InChIInChI=1S/C19H20N2O2S2/c22-25(23,17-7-3-5-15-6-4-11-20-18(15)17)21-14-19(9-1-2-10-19)16-8-12-24-13-16/h3-8,11-13,21H,1-2,9-10,14H2
InChIKeyXHPAJIWRBRMZRF-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.09
Rot. Bonds5

About N-[(1-thiophen-3-ylcyclopentyl)methyl]quinoline-8-sulfonamide

N-[(1-thiophen-3-ylcyclopentyl)methyl]quinoline-8-sulfonamide (PubChem CID 86264405) has the molecular formula C19H20N2O2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is N-[(1-thiophen-3-ylcyclopentyl)methyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[(1-thiophen-3-ylcyclopentyl)methyl]quinoline-8-sulfonamide
PubChem CID86264405
Molecular FormulaC19H20N2O2S2
Molecular Weight372.52 g/mol
Exact Mass372.10
IUPAC NameN-[(1-thiophen-3-ylcyclopentyl)methyl]quinoline-8-sulfonamide
SMILESO=S(=O)(NCC1(c2ccsc2)CCCC1)c1cccc2cccnc12
InChIInChI=1S/C19H20N2O2S2/c22-25(23,17-7-3-5-15-6-4-11-20-18(15)17)21-14-19(9-1-2-10-19)16-8-12-24-13-16/h3-8,11-13,21H,1-2,9-10,14H2
InChIKeyXHPAJIWRBRMZRF-UHFFFAOYSA-N
XLogP4.09
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]quinoline-8-sulfonamide
CID 75431004
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
1-(3-chlorophenyl)-N-[(1-thiophen-3-ylcyclopentyl)methyl]methanesulfonamide
CID 86263787
1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 71246696
(E)-2-phenyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]ethenesulfonamide
CID 86263782
N-[(1-thiophen-2-ylcyclohexyl)methyl]naphthalene-1-sulfonamide
CID 30943313
1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 11522844
N-butylquinoline-8-sulfonamide
CID 2068304
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)quinoline-8-sulfonamide
CID 99802354
N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide
CID 704975
N-cycloheptylquinoline-8-sulfonamide
CID 3244108
N-(2-phenoxyethyl)quinoline-8-sulfonamide
CID 3776946

Frequently Asked Questions

What is the IUPAC name of N-[(1-thiophen-3-ylcyclopentyl)methyl]quinoline-8-sulfonamide?
The IUPAC name of N-[(1-thiophen-3-ylcyclopentyl)methyl]quinoline-8-sulfonamide (CID 86264405) is N-[(1-thiophen-3-ylcyclopentyl)methyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[(1-thiophen-3-ylcyclopentyl)methyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[(1-thiophen-3-ylcyclopentyl)methyl]quinoline-8-sulfonamide is O=S(=O)(NCC1(c2ccsc2)CCCC1)c1cccc2cccnc12.
What is the InChIKey of N-[(1-thiophen-3-ylcyclopentyl)methyl]quinoline-8-sulfonamide?
The InChIKey is XHPAJIWRBRMZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S2/c22-25(23,17-7-3-5-15-6-4-11-20-18(15)17)21-14-19(9-1-2-10-19)16-8-12-24-13-16/h3-8,11-13,21H,1-2,9-10,14H2.
What are the key properties of N-[(1-thiophen-3-ylcyclopentyl)methyl]quinoline-8-sulfonamide?
N-[(1-thiophen-3-ylcyclopentyl)methyl]quinoline-8-sulfonamide has a molecular weight of 372.52 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-thiophen-3-ylcyclopentyl)methyl]quinoline-8-sulfonamide is sourced from PubChem (CID 86264405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).