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

C17H16F3N3O2S2 — CID 37307538

IUPACN-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]thiophene-2-sulfonamide
SMILESCc1c([C@@H](C)NS(=O)(=O)c2cccs2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3N3O2S2/c1-11(22-27(24,25)16-7-4-8-26-16)15-10-21-23(12(15)2)14-6-3-5-13(9-14)17(18,19)20/h3-11,22H,1-2H3/t11-/m1/s1
InChIKeyFAWFCHCUIVBLJY-LLVKDONJSA-N
MW415.46 g/mol
LogP4.30
Rot. Bonds5

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

N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 37307538) has the molecular formula C17H16F3N3O2S2 and a molecular weight of 415.46 g/mol. Its IUPAC name is N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]thiophene-2-sulfonamide
PubChem CID37307538
Molecular FormulaC17H16F3N3O2S2
Molecular Weight415.46 g/mol
Exact Mass415.06
IUPAC NameN-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]thiophene-2-sulfonamide
SMILESCc1c([C@@H](C)NS(=O)(=O)c2cccs2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3N3O2S2/c1-11(22-27(24,25)16-7-4-8-26-16)15-10-21-23(12(15)2)14-6-3-5-13(9-14)17(18,19)20/h3-11,22H,1-2H3/t11-/m1/s1
InChIKeyFAWFCHCUIVBLJY-LLVKDONJSA-N
XLogP4.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]thiophene-2-sulfonamide (CID 37307538) is N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]thiophene-2-sulfonamide is Cc1c([C@@H](C)NS(=O)(=O)c2cccs2)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is FAWFCHCUIVBLJY-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16F3N3O2S2/c1-11(22-27(24,25)16-7-4-8-26-16)15-10-21-23(12(15)2)14-6-3-5-13(9-14)17(18,19)20/h3-11,22H,1-2H3/t11-/m1/s1.
What are the key properties of N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]thiophene-2-sulfonamide?
N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 415.46 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 37307538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).