N-cyclopentyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide

C13H13F3N2O3S2 — CID 20935902

IUPACN-cyclopentyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCCC1)c1ccc(-c2cc(C(F)(F)F)on2)s1
InChIInChI=1S/C13H13F3N2O3S2/c14-13(15,16)11-7-9(17-21-11)10-5-6-12(22-10)23(19,20)18-8-3-1-2-4-8/h5-8,18H,1-4H2
InChIKeyLEWSSHRVGQGFJX-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.64
Rot. Bonds4

About N-cyclopentyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide

N-cyclopentyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (PubChem CID 20935902) has the molecular formula C13H13F3N2O3S2 and a molecular weight of 366.39 g/mol. Its IUPAC name is N-cyclopentyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
PubChem CID20935902
Molecular FormulaC13H13F3N2O3S2
Molecular Weight366.39 g/mol
Exact Mass366.03
IUPAC NameN-cyclopentyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCCC1)c1ccc(-c2cc(C(F)(F)F)on2)s1
InChIInChI=1S/C13H13F3N2O3S2/c14-13(15,16)11-7-9(17-21-11)10-5-6-12(22-10)23(19,20)18-8-3-1-2-4-8/h5-8,18H,1-4H2
InChIKeyLEWSSHRVGQGFJX-UHFFFAOYSA-N
XLogP3.64
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-cyclopentyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (CID 20935902) is N-cyclopentyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-cyclopentyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-cyclopentyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is O=S(=O)(NC1CCCC1)c1ccc(-c2cc(C(F)(F)F)on2)s1.
What is the InChIKey of N-cyclopentyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is LEWSSHRVGQGFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3S2/c14-13(15,16)11-7-9(17-21-11)10-5-6-12(22-10)23(19,20)18-8-3-1-2-4-8/h5-8,18H,1-4H2.
What are the key properties of N-cyclopentyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
N-cyclopentyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 366.39 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 20935902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).