3-propoxy-1-propyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide

C16H20F3N3O3S — CID 134587878

IUPAC3-propoxy-1-propyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
SMILESCCCOc1nn(CCC)cc1S(=O)(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H20F3N3O3S/c1-3-9-22-11-14(15(20-22)25-10-4-2)26(23,24)21-13-8-6-5-7-12(13)16(17,18)19/h5-8,11,21H,3-4,9-10H2,1-2H3
InChIKeyMHDQAWCSEZYDPB-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.90
Rot. Bonds8

About 3-propoxy-1-propyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide

3-propoxy-1-propyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide (PubChem CID 134587878) has the molecular formula C16H20F3N3O3S and a molecular weight of 391.42 g/mol. Its IUPAC name is 3-propoxy-1-propyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-propoxy-1-propyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
PubChem CID134587878
Molecular FormulaC16H20F3N3O3S
Molecular Weight391.42 g/mol
Exact Mass391.12
IUPAC Name3-propoxy-1-propyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
SMILESCCCOc1nn(CCC)cc1S(=O)(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H20F3N3O3S/c1-3-9-22-11-14(15(20-22)25-10-4-2)26(23,24)21-13-8-6-5-7-12(13)16(17,18)19/h5-8,11,21H,3-4,9-10H2,1-2H3
InChIKeyMHDQAWCSEZYDPB-UHFFFAOYSA-N
XLogP3.90
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-propoxy-1-propyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 3-propoxy-1-propyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide (CID 134587878) is 3-propoxy-1-propyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3-propoxy-1-propyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 3-propoxy-1-propyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide is CCCOc1nn(CCC)cc1S(=O)(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-propoxy-1-propyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide?
The InChIKey is MHDQAWCSEZYDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O3S/c1-3-9-22-11-14(15(20-22)25-10-4-2)26(23,24)21-13-8-6-5-7-12(13)16(17,18)19/h5-8,11,21H,3-4,9-10H2,1-2H3.
What are the key properties of 3-propoxy-1-propyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide?
3-propoxy-1-propyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide has a molecular weight of 391.42 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-1-propyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 134587878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).