N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide

C11H11F3N4O2S — CID 79496945

IUPACN-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESNCc1cn[nH]c1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N4O2S/c12-11(13,14)8-2-1-3-9(4-8)21(19,20)18-10-7(5-15)6-16-17-10/h1-4,6H,5,15H2,(H2,16,17,18)
InChIKeyNYZFCRUFQVWCTK-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.69
Rot. Bonds4

About N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide

N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 79496945) has the molecular formula C11H11F3N4O2S and a molecular weight of 320.30 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID79496945
Molecular FormulaC11H11F3N4O2S
Molecular Weight320.30 g/mol
Exact Mass320.06
IUPAC NameN-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESNCc1cn[nH]c1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N4O2S/c12-11(13,14)8-2-1-3-9(4-8)21(19,20)18-10-7(5-15)6-16-17-10/h1-4,6H,5,15H2,(H2,16,17,18)
InChIKeyNYZFCRUFQVWCTK-UHFFFAOYSA-N
XLogP1.69
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethyl-1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 104621164
N-(4-ethyl-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide
CID 113433884
3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid
CID 104617664
N-(5-ethyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 115701458
N-(1-amino-2-methylpropan-2-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119975376
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333
N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3851411
N-[4-(aminomethyl)-1H-pyrazol-5-yl]-2-methylpropane-2-sulfonamide
CID 79503158
N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988015
N-[5-(2-fluoroethoxymethyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 86604239
N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 8519021
N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11611930

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 79496945) is N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide is NCc1cn[nH]c1NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NYZFCRUFQVWCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2S/c12-11(13,14)8-2-1-3-9(4-8)21(19,20)18-10-7(5-15)6-16-17-10/h1-4,6H,5,15H2,(H2,16,17,18).
What are the key properties of N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide?
N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 320.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 79496945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).