5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[3-(2-pyridin-2-ylethyl)phenyl]thiophene-2-sulfonamide

C22H19F3N4O2S2 — CID 58287496

IUPAC5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[3-(2-pyridin-2-ylethyl)phenyl]thiophene-2-sulfonamide
SMILESCn1nc(-c2ccc(S(=O)(=O)Nc3cccc(CCc4ccccn4)c3)s2)cc1C(F)(F)F
InChIInChI=1S/C22H19F3N4O2S2/c1-29-20(22(23,24)25)14-18(27-29)19-10-11-21(32-19)33(30,31)28-17-7-4-5-15(13-17)8-9-16-6-2-3-12-26-16/h2-7,10-14,28H,8-9H2,1H3
InChIKeyVHLAGFQAHUJVBC-UHFFFAOYSA-N
MW492.55 g/mol
LogP5.15
Rot. Bonds7

About 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[3-(2-pyridin-2-ylethyl)phenyl]thiophene-2-sulfonamide

5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[3-(2-pyridin-2-ylethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 58287496) has the molecular formula C22H19F3N4O2S2 and a molecular weight of 492.55 g/mol. Its IUPAC name is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[3-(2-pyridin-2-ylethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[3-(2-pyridin-2-ylethyl)phenyl]thiophene-2-sulfonamide
PubChem CID58287496
Molecular FormulaC22H19F3N4O2S2
Molecular Weight492.55 g/mol
Exact Mass492.09
IUPAC Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[3-(2-pyridin-2-ylethyl)phenyl]thiophene-2-sulfonamide
SMILESCn1nc(-c2ccc(S(=O)(=O)Nc3cccc(CCc4ccccn4)c3)s2)cc1C(F)(F)F
InChIInChI=1S/C22H19F3N4O2S2/c1-29-20(22(23,24)25)14-18(27-29)19-10-11-21(32-19)33(30,31)28-17-7-4-5-15(13-17)8-9-16-6-2-3-12-26-16/h2-7,10-14,28H,8-9H2,1H3
InChIKeyVHLAGFQAHUJVBC-UHFFFAOYSA-N
XLogP5.15
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.55
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 56666643
CID 56666643
CID 67084295
CID 67084295
CID 9670310
CID 9670310
CID 16190616
CID 16190616
CID 44534362
CID 44534362
CID 44534364
CID 44534364
CID 45102707
CID 45102707
CID 2815476
CID 2815476
CID 16190348
CID 16190348
CID 24816641
CID 24816641
CID 44534367
CID 44534367
CID 615168
CID 615168

Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[3-(2-pyridin-2-ylethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[3-(2-pyridin-2-ylethyl)phenyl]thiophene-2-sulfonamide (CID 58287496) is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[3-(2-pyridin-2-ylethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[3-(2-pyridin-2-ylethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[3-(2-pyridin-2-ylethyl)phenyl]thiophene-2-sulfonamide is Cn1nc(-c2ccc(S(=O)(=O)Nc3cccc(CCc4ccccn4)c3)s2)cc1C(F)(F)F.
What is the InChIKey of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[3-(2-pyridin-2-ylethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is VHLAGFQAHUJVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2S2/c1-29-20(22(23,24)25)14-18(27-29)19-10-11-21(32-19)33(30,31)28-17-7-4-5-15(13-17)8-9-16-6-2-3-12-26-16/h2-7,10-14,28H,8-9H2,1H3.
What are the key properties of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[3-(2-pyridin-2-ylethyl)phenyl]thiophene-2-sulfonamide?
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[3-(2-pyridin-2-ylethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 492.55 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[3-(2-pyridin-2-ylethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 58287496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).