N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide

C13H13F3N4O3S — CID 112505341

IUPACN-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C13H13F3N4O3S/c1-7-11(8(2)19-18-7)24(22,23)20-10-5-3-9(4-6-10)17-12(21)13(14,15)16/h3-6,20H,1-2H3,(H,17,21)(H,18,19)
InChIKeyDSRHSRORPGSIAQ-UHFFFAOYSA-N
MW362.33 g/mol
LogP2.33
Rot. Bonds4

About N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide

N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 112505341) has the molecular formula C13H13F3N4O3S and a molecular weight of 362.33 g/mol. Its IUPAC name is N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide
PubChem CID112505341
Molecular FormulaC13H13F3N4O3S
Molecular Weight362.33 g/mol
Exact Mass362.07
IUPAC NameN-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C13H13F3N4O3S/c1-7-11(8(2)19-18-7)24(22,23)20-10-5-3-9(4-6-10)17-12(21)13(14,15)16/h3-6,20H,1-2H3,(H,17,21)(H,18,19)
InChIKeyDSRHSRORPGSIAQ-UHFFFAOYSA-N
XLogP2.33
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28785562
N-[4-(1-hydroxyethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43417190
N-[4-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28754462
3,5-dimethyl-N-[4-(pentylamino)phenyl]-1H-pyrazole-4-sulfonamide
CID 112985276
3,5-dimethyl-N-[4-(3-methylbutylamino)phenyl]-1H-pyrazole-4-sulfonamide
CID 112985171
N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 26952341
N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112986378
N-[4-(2-aminoethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28754608
3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide;hydrochloride
CID 126460275
N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 866897
3,5-dimethyl-N-[4-[(4-methylphenyl)methylamino]phenyl]-1H-pyrazole-4-sulfonamide
CID 112982208
N-(3-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683530

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide (CID 112505341) is N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is DSRHSRORPGSIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O3S/c1-7-11(8(2)19-18-7)24(22,23)20-10-5-3-9(4-6-10)17-12(21)13(14,15)16/h3-6,20H,1-2H3,(H,17,21)(H,18,19).
What are the key properties of N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide?
N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 362.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 112505341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).