4-(aminomethyl)-N-[2-(difluoromethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide

C11H12F2N4O2S2 — CID 106057867

IUPAC4-(aminomethyl)-N-[2-(difluoromethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide
SMILESNCc1cn[nH]c1S(=O)(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C11H12F2N4O2S2/c12-11(13)20-9-4-2-1-3-8(9)17-21(18,19)10-7(5-14)6-15-16-10/h1-4,6,11,17H,5,14H2,(H,15,16)
InChIKeyILDADQCGFVYYAS-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.98
Rot. Bonds6

About 4-(aminomethyl)-N-[2-(difluoromethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide

4-(aminomethyl)-N-[2-(difluoromethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide (PubChem CID 106057867) has the molecular formula C11H12F2N4O2S2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(difluoromethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(difluoromethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide
PubChem CID106057867
Molecular FormulaC11H12F2N4O2S2
Molecular Weight334.37 g/mol
Exact Mass334.04
IUPAC Name4-(aminomethyl)-N-[2-(difluoromethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide
SMILESNCc1cn[nH]c1S(=O)(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C11H12F2N4O2S2/c12-11(13)20-9-4-2-1-3-8(9)17-21(18,19)10-7(5-14)6-15-16-10/h1-4,6,11,17H,5,14H2,(H,15,16)
InChIKeyILDADQCGFVYYAS-UHFFFAOYSA-N
XLogP1.98
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)-1H-pyrazole-5-sulfonamide
CID 106088231
4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106029958
4-(aminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 106086911
N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 63000019
4-(aminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 114142292
4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide
CID 26968476
3-amino-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide
CID 29040314
4-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106063300
4-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-1H-pyrazole-5-sulfonamide
CID 106090355
4-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)-1H-pyrazole-5-sulfonamide
CID 106087849
2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]ethanesulfonamide
CID 107650616
4-(aminomethyl)-N-(3-bromo-4-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 106064469

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(difluoromethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(difluoromethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide (CID 106057867) is 4-(aminomethyl)-N-[2-(difluoromethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(difluoromethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(difluoromethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide is NCc1cn[nH]c1S(=O)(=O)Nc1ccccc1SC(F)F.
What is the InChIKey of 4-(aminomethyl)-N-[2-(difluoromethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is ILDADQCGFVYYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O2S2/c12-11(13)20-9-4-2-1-3-8(9)17-21(18,19)10-7(5-14)6-15-16-10/h1-4,6,11,17H,5,14H2,(H,15,16).
What are the key properties of 4-(aminomethyl)-N-[2-(difluoromethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide?
4-(aminomethyl)-N-[2-(difluoromethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 334.37 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(difluoromethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106057867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).