N-(5-methyl-1H-pyrazol-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide

C12H12F3N3O3S — CID 100687501

IUPACN-(5-methyl-1H-pyrazol-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
SMILESCc1[nH]ncc1NS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H12F3N3O3S/c1-8-11(6-16-17-8)18-22(19,20)7-9-2-4-10(5-3-9)21-12(13,14)15/h2-6,18H,7H2,1H3,(H,16,17)
InChIKeyXKJHRWZGBCTHHE-UHFFFAOYSA-N
MW335.31 g/mol
LogP2.56
Rot. Bonds5

About N-(5-methyl-1H-pyrazol-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide

N-(5-methyl-1H-pyrazol-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide (PubChem CID 100687501) has the molecular formula C12H12F3N3O3S and a molecular weight of 335.31 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
PubChem CID100687501
Molecular FormulaC12H12F3N3O3S
Molecular Weight335.31 g/mol
Exact Mass335.06
IUPAC NameN-(5-methyl-1H-pyrazol-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
SMILESCc1[nH]ncc1NS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H12F3N3O3S/c1-8-11(6-16-17-8)18-22(19,20)7-9-2-4-10(5-3-9)21-12(13,14)15/h2-6,18H,7H2,1H3,(H,16,17)
InChIKeyXKJHRWZGBCTHHE-UHFFFAOYSA-N
XLogP2.56
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
CID 145265613
N-pyrimidin-2-yl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
CID 86807415
1-(2,6-difluorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide
CID 131962916
N-(2-pyrazol-1-ylphenyl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
CID 137429571
N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide
CID 126995059
[4-(trifluoromethoxy)phenyl]methyl methanesulfonate
CID 21265728
[1H-1,2,4-triazol-5-yl-[4-(trifluoromethoxy)phenyl]methyl] methanesulfonate
CID 126651282
[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide
CID 91020906
2-methyl-1-[[4-(trifluoromethoxy)phenyl]methylsulfonyl]propan-2-amine
CID 81189605
5-(4-methylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]-1H-pyrazole
CID 19355318
N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 63822968
1-(4-methoxyphenyl)-N-(2-methylphenyl)methanesulfonamide
CID 127510090

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide (CID 100687501) is N-(5-methyl-1H-pyrazol-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide is Cc1[nH]ncc1NS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide?
The InChIKey is XKJHRWZGBCTHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O3S/c1-8-11(6-16-17-8)18-22(19,20)7-9-2-4-10(5-3-9)21-12(13,14)15/h2-6,18H,7H2,1H3,(H,16,17).
What are the key properties of N-(5-methyl-1H-pyrazol-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide?
N-(5-methyl-1H-pyrazol-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide has a molecular weight of 335.31 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide is sourced from PubChem (CID 100687501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).