5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide

C19H19F3N4O3S2 — CID 2813508

IUPAC5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide
SMILESCn1nc(-c2ccc(S(=O)(=O)Nc3ccccc3N3CCOCC3)s2)cc1C(F)(F)F
InChIInChI=1S/C19H19F3N4O3S2/c1-25-17(19(20,21)22)12-14(23-25)16-6-7-18(30-16)31(27,28)24-13-4-2-3-5-15(13)26-8-10-29-11-9-26/h2-7,12,24H,8-11H2,1H3
InChIKeyXRLPVGNGJFGDKB-UHFFFAOYSA-N
MW472.51 g/mol
LogP3.80
Rot. Bonds5

About 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide

5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide (PubChem CID 2813508) has the molecular formula C19H19F3N4O3S2 and a molecular weight of 472.51 g/mol. Its IUPAC name is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide
PubChem CID2813508
Molecular FormulaC19H19F3N4O3S2
Molecular Weight472.51 g/mol
Exact Mass472.09
IUPAC Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide
SMILESCn1nc(-c2ccc(S(=O)(=O)Nc3ccccc3N3CCOCC3)s2)cc1C(F)(F)F
InChIInChI=1S/C19H19F3N4O3S2/c1-25-17(19(20,21)22)12-14(23-25)16-6-7-18(30-16)31(27,28)24-13-4-2-3-5-15(13)26-8-10-29-11-9-26/h2-7,12,24H,8-11H2,1H3
InChIKeyXRLPVGNGJFGDKB-UHFFFAOYSA-N
XLogP3.80
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 4794707
N-(3,4-dimethylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
CID 59631957
1-methyl-3-(5-methylsulfonylthiophen-2-yl)-5-(trifluoromethyl)pyrazole
CID 21349801
3,5-difluoro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
CID 17442409
N-[(4-chlorophenyl)-methylidene-oxo-λ6-sulfanyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
CID 155549433
4-[2-(sulfamoylamino)phenyl]morpholine
CID 112573552
3,4-dimethyl-5-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
CID 4806596
3,5-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpyrazole
CID 2820449
aziridin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone
CID 58955761
sodium N-(2-morpholin-4-ylphenyl)sulfamate
CID 174221479
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2444334
N-(5-chloro-2-morpholin-4-ylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8823097

Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide (CID 2813508) is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide is Cn1nc(-c2ccc(S(=O)(=O)Nc3ccccc3N3CCOCC3)s2)cc1C(F)(F)F.
What is the InChIKey of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide?
The InChIKey is XRLPVGNGJFGDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3S2/c1-25-17(19(20,21)22)12-14(23-25)16-6-7-18(30-16)31(27,28)24-13-4-2-3-5-15(13)26-8-10-29-11-9-26/h2-7,12,24H,8-11H2,1H3.
What are the key properties of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide?
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide has a molecular weight of 472.51 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 2813508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).