5-chloro-N-[2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide

C20H21ClF3N3O2S2 — CID 11156102

About 5-chloro-N-[2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide

5-chloro-N-[2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide (PubChem CID 11156102) has the molecular formula C20H21ClF3N3O2S2 and a molecular weight of 491.99 g/mol. Its IUPAC name is 5-chloro-N-[2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: 5-chloro-N-[2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide
• PubChem CID: 11156102
• Molecular Formula: C20H21ClF3N3O2S2
• Molecular Weight: 491.99 g/mol
• Exact Mass: 491.07
• IUPAC Name: 5-chloro-N-[2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide
• SMILES: CCC(CC)C(NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C20H21ClF3N3O2S2/c1-3-13(4-2)19(26-31(28,29)18-10-9-17(21)30-18)16-11-12-25-27(16)15-7-5-14(6-8-15)20(22,23)24/h5-13,19,26H,3-4H2,1-2H3
• InChIKey: ACDXMPQSFVRESB-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.99
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide?

The IUPAC name of 5-chloro-N-[2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide (CID 11156102) is 5-chloro-N-[2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide.

What is the SMILES notation for 5-chloro-N-[2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide?

The canonical SMILES for 5-chloro-N-[2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide is CCC(CC)C(NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccc(C(F)(F)F)cc1.

What is the InChIKey of 5-chloro-N-[2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide?

The InChIKey is ACDXMPQSFVRESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3O2S2/c1-3-13(4-2)19(26-31(28,29)18-10-9-17(21)30-18)16-11-12-25-27(16)15-7-5-14(6-8-15)20(22,23)24/h5-13,19,26H,3-4H2,1-2H3.

What are the key properties of 5-chloro-N-[2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide?

5-chloro-N-[2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide has a molecular weight of 491.99 g/mol, XLogP of 6.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide is sourced from PubChem (CID 11156102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).