N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide

C13H10F3N3O2S3 — CID 53083770

IUPACN-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1
InChIInChI=1S/C13H10F3N3O2S3/c14-13(15,16)11-6-9(18-19-11)10-3-4-12(23-10)24(20,21)17-7-8-2-1-5-22-8/h1-6,17H,7H2,(H,18,19)
InChIKeyBKPQIKIBVFCXCD-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.70
Rot. Bonds5

About N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide

N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide (PubChem CID 53083770) has the molecular formula C13H10F3N3O2S3 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
PubChem CID53083770
Molecular FormulaC13H10F3N3O2S3
Molecular Weight393.44 g/mol
Exact Mass392.99
IUPAC NameN-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1
InChIInChI=1S/C13H10F3N3O2S3/c14-13(15,16)11-6-9(18-19-11)10-3-4-12(23-10)24(20,21)17-7-8-2-1-5-22-8/h1-6,17H,7H2,(H,18,19)
InChIKeyBKPQIKIBVFCXCD-UHFFFAOYSA-N
XLogP3.70
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide (CID 53083770) is N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide is O=S(=O)(NCc1cccs1)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is BKPQIKIBVFCXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2S3/c14-13(15,16)11-6-9(18-19-11)10-3-4-12(23-10)24(20,21)17-7-8-2-1-5-22-8/h1-6,17H,7H2,(H,18,19).
What are the key properties of N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 393.44 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 53083770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).