N-methyl-N-[3-methyl-4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide

C20H19F3N4O3S — CID 22315543

IUPACN-methyl-N-[3-methyl-4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C20H19F3N4O3S/c1-12-10-15(26(3)13(2)28)6-9-17(12)18-11-19(20(21,22)23)25-27(18)14-4-7-16(8-5-14)31(24,29)30/h4-11H,1-3H3,(H2,24,29,30)
InChIKeySDULWKGHFLOIDK-UHFFFAOYSA-N
MW452.46 g/mol
LogP3.50
Rot. Bonds4

About N-methyl-N-[3-methyl-4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide

N-methyl-N-[3-methyl-4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide (PubChem CID 22315543) has the molecular formula C20H19F3N4O3S and a molecular weight of 452.46 g/mol. Its IUPAC name is N-methyl-N-[3-methyl-4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[3-methyl-4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide
PubChem CID22315543
Molecular FormulaC20H19F3N4O3S
Molecular Weight452.46 g/mol
Exact Mass452.11
IUPAC NameN-methyl-N-[3-methyl-4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C20H19F3N4O3S/c1-12-10-15(26(3)13(2)28)6-9-17(12)18-11-19(20(21,22)23)25-27(18)14-4-7-16(8-5-14)31(24,29)30/h4-11H,1-3H3,(H2,24,29,30)
InChIKeySDULWKGHFLOIDK-UHFFFAOYSA-N
XLogP3.50
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-chloro-4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylurea
CID 22315556
1-[4-fluoro-3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylthiourea
CID 22315528
4-[5-(4-hydroxy-3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 135848006
3-methyl-4-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 135848011
4-[5-[4-(aminomethyl)-2-[ethyl(methyl)amino]phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 174423321
sodium;hydride;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;hydrate
CID 173010956
4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-pyridin-4-ylpyridine
CID 139199315
4-[5-(3,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315448
4-[5-[5-propan-2-yl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 78324943
N-[4-[1-(4-aminosulfanylperoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-N-methylacetamide
CID 23394609
2-[2-methyl-5-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]anilino]propanoic acid
CID 11562466
4-[5-[2-methyl-5-(2H-pyrrol-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 118654641

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-methyl-4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide?
The IUPAC name of N-methyl-N-[3-methyl-4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide (CID 22315543) is N-methyl-N-[3-methyl-4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[3-methyl-4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-methyl-N-[3-methyl-4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide is CC(=O)N(C)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c(C)c1.
What is the InChIKey of N-methyl-N-[3-methyl-4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide?
The InChIKey is SDULWKGHFLOIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3S/c1-12-10-15(26(3)13(2)28)6-9-17(12)18-11-19(20(21,22)23)25-27(18)14-4-7-16(8-5-14)31(24,29)30/h4-11H,1-3H3,(H2,24,29,30).
What are the key properties of N-methyl-N-[3-methyl-4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide?
N-methyl-N-[3-methyl-4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide has a molecular weight of 452.46 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-methyl-4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 22315543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).