N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide

C15H18F3N3O2S2 — CID 121020236

IUPACN-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1
InChIInChI=1S/C15H18F3N3O2S2/c16-15(17,18)13-7-8-20(19-13)9-10-21(12-4-1-2-5-12)25(22,23)14-6-3-11-24-14/h3,6-8,11-12H,1-2,4-5,9-10H2
InChIKeyBOKJVGKYCQRSJB-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.60
Rot. Bonds6

About N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide

N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 121020236) has the molecular formula C15H18F3N3O2S2 and a molecular weight of 393.46 g/mol. Its IUPAC name is N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide
PubChem CID121020236
Molecular FormulaC15H18F3N3O2S2
Molecular Weight393.46 g/mol
Exact Mass393.08
IUPAC NameN-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1
InChIInChI=1S/C15H18F3N3O2S2/c16-15(17,18)13-7-8-20(19-13)9-10-21(12-4-1-2-5-12)25(22,23)14-6-3-11-24-14/h3,6-8,11-12H,1-2,4-5,9-10H2
InChIKeyBOKJVGKYCQRSJB-UHFFFAOYSA-N
XLogP3.60
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide (CID 121020236) is N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide is O=S(=O)(c1cccs1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is BOKJVGKYCQRSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2S2/c16-15(17,18)13-7-8-20(19-13)9-10-21(12-4-1-2-5-12)25(22,23)14-6-3-11-24-14/h3,6-8,11-12H,1-2,4-5,9-10H2.
What are the key properties of N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide?
N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 393.46 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 121020236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).