N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide

C12H11F3N4O3S — CID 122158577

IUPACN-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cn[nH]c1
InChIInChI=1S/C12H11F3N4O3S/c1-23(21,22)19-9-3-2-8(12(13,14)15)4-10(9)18-11(20)7-5-16-17-6-7/h2-6,19H,1H3,(H,16,17)(H,18,20)
InChIKeyBNKARWNQBKHMRQ-UHFFFAOYSA-N
MW348.31 g/mol
LogP2.05
Rot. Bonds4

About N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide

N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 122158577) has the molecular formula C12H11F3N4O3S and a molecular weight of 348.31 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID122158577
Molecular FormulaC12H11F3N4O3S
Molecular Weight348.31 g/mol
Exact Mass348.05
IUPAC NameN-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cn[nH]c1
InChIInChI=1S/C12H11F3N4O3S/c1-23(21,22)19-9-3-2-8(12(13,14)15)4-10(9)18-11(20)7-5-16-17-6-7/h2-6,19H,1H3,(H,16,17)(H,18,20)
InChIKeyBNKARWNQBKHMRQ-UHFFFAOYSA-N
XLogP2.05
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66480354
N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-4-(methylamino)butanamide
CID 119775808
4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 43565594
N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide
CID 119775820
N-(2-methyl-4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide
CID 63080493
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 47079713
N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 43429418
N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]-3-methylbenzamide
CID 3072238
3-(furan-2-yl)-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 72687765
4-fluoro-N-[2-(methanesulfonamido)phenyl]benzamide
CID 35368090
N-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxamide
CID 150023911
N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
CID 166355925

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide (CID 122158577) is N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide is CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cn[nH]c1.
What is the InChIKey of N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is BNKARWNQBKHMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O3S/c1-23(21,22)19-9-3-2-8(12(13,14)15)4-10(9)18-11(20)7-5-16-17-6-7/h2-6,19H,1H3,(H,16,17)(H,18,20).
What are the key properties of N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 348.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 122158577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).