N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)sulfonyl-N-methylcyclopentane-1-carboxamide

C20H19ClN2O3S2 — CID 55509576

IUPACN-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)sulfonyl-N-methylcyclopentane-1-carboxamide
SMILESCN(C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)c1nc2ccccc2s1
InChIInChI=1S/C20H19ClN2O3S2/c1-23(19-22-16-6-2-3-7-17(16)27-19)18(24)20(12-4-5-13-20)28(25,26)15-10-8-14(21)9-11-15/h2-3,6-11H,4-5,12-13H2,1H3
InChIKeyUIKCFTKLADRSGX-UHFFFAOYSA-N
MW434.97 g/mol
LogP4.70
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)sulfonyl-N-methylcyclopentane-1-carboxamide

N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)sulfonyl-N-methylcyclopentane-1-carboxamide (PubChem CID 55509576) has the molecular formula C20H19ClN2O3S2 and a molecular weight of 434.97 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)sulfonyl-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)sulfonyl-N-methylcyclopentane-1-carboxamide
PubChem CID55509576
Molecular FormulaC20H19ClN2O3S2
Molecular Weight434.97 g/mol
Exact Mass434.05
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)sulfonyl-N-methylcyclopentane-1-carboxamide
SMILESCN(C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)c1nc2ccccc2s1
InChIInChI=1S/C20H19ClN2O3S2/c1-23(19-22-16-6-2-3-7-17(16)27-19)18(24)20(12-4-5-13-20)28(25,26)15-10-8-14(21)9-11-15/h2-3,6-11H,4-5,12-13H2,1H3
InChIKeyUIKCFTKLADRSGX-UHFFFAOYSA-N
XLogP4.70
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.97
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
CID 31846671
N-(1H-benzimidazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonyl-N-methylcyclopentane-1-carboxamide
CID 138998278
N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]pyrrolidine-2-carboxamide
CID 16923748
N-(1,3-benzothiazol-2-yl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide
CID 34255200
methyl 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate
CID 52542659
trans-(1S,2S)-N-(1,3-benzothiazol-2-yl)-N,2-dimethylcyclopropane-1-carboxamide
CID 34248200
4-[[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-methylamino]methyl]-N-methylbenzamide
CID 55455837
N-(benzimidazol-1-yl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
CID 31824622
N-(1,3-benzothiazol-2-yl)-4-fluoro-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37494431
N-(1,3-benzothiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 34260376
methyl N-(1,3-benzothiazol-2-yl)-N-methylcarbamodithioate
CID 804828
N-(1,3-benzothiazol-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 47141340

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)sulfonyl-N-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)sulfonyl-N-methylcyclopentane-1-carboxamide (CID 55509576) is N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)sulfonyl-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)sulfonyl-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)sulfonyl-N-methylcyclopentane-1-carboxamide is CN(C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)sulfonyl-N-methylcyclopentane-1-carboxamide?
The InChIKey is UIKCFTKLADRSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S2/c1-23(19-22-16-6-2-3-7-17(16)27-19)18(24)20(12-4-5-13-20)28(25,26)15-10-8-14(21)9-11-15/h2-3,6-11H,4-5,12-13H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)sulfonyl-N-methylcyclopentane-1-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)sulfonyl-N-methylcyclopentane-1-carboxamide has a molecular weight of 434.97 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)sulfonyl-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 55509576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).