N-(1,3-benzothiazol-5-yl)-2-methoxycyclopentane-1-sulfonamide

C13H16N2O3S2 — CID 166332039

IUPACN-(1,3-benzothiazol-5-yl)-2-methoxycyclopentane-1-sulfonamide
SMILESCOC1CCCC1S(=O)(=O)Nc1ccc2scnc2c1
InChIInChI=1S/C13H16N2O3S2/c1-18-11-3-2-4-13(11)20(16,17)15-9-5-6-12-10(7-9)14-8-19-12/h5-8,11,13,15H,2-4H2,1H3
InChIKeyWUYHTDUOYFHAPL-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.61
Rot. Bonds4

About N-(1,3-benzothiazol-5-yl)-2-methoxycyclopentane-1-sulfonamide

N-(1,3-benzothiazol-5-yl)-2-methoxycyclopentane-1-sulfonamide (PubChem CID 166332039) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-2-methoxycyclopentane-1-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-2-methoxycyclopentane-1-sulfonamide
PubChem CID166332039
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC NameN-(1,3-benzothiazol-5-yl)-2-methoxycyclopentane-1-sulfonamide
SMILESCOC1CCCC1S(=O)(=O)Nc1ccc2scnc2c1
InChIInChI=1S/C13H16N2O3S2/c1-18-11-3-2-4-13(11)20(16,17)15-9-5-6-12-10(7-9)14-8-19-12/h5-8,11,13,15H,2-4H2,1H3
InChIKeyWUYHTDUOYFHAPL-UHFFFAOYSA-N
XLogP2.61
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-2-methoxycyclopentane-1-sulfonamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-2-methoxycyclopentane-1-sulfonamide (CID 166332039) is N-(1,3-benzothiazol-5-yl)-2-methoxycyclopentane-1-sulfonamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-2-methoxycyclopentane-1-sulfonamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-2-methoxycyclopentane-1-sulfonamide is COC1CCCC1S(=O)(=O)Nc1ccc2scnc2c1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-2-methoxycyclopentane-1-sulfonamide?
The InChIKey is WUYHTDUOYFHAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-18-11-3-2-4-13(11)20(16,17)15-9-5-6-12-10(7-9)14-8-19-12/h5-8,11,13,15H,2-4H2,1H3.
What are the key properties of N-(1,3-benzothiazol-5-yl)-2-methoxycyclopentane-1-sulfonamide?
N-(1,3-benzothiazol-5-yl)-2-methoxycyclopentane-1-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-2-methoxycyclopentane-1-sulfonamide is sourced from PubChem (CID 166332039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).