N-(3-fluoro-2-methylphenyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide

C13H17FN4O2S — CID 106018448

IUPACN-(3-fluoro-2-methylphenyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
SMILESCNCCn1cc(S(=O)(=O)Nc2cccc(F)c2C)cn1
InChIInChI=1S/C13H17FN4O2S/c1-10-12(14)4-3-5-13(10)17-21(19,20)11-8-16-18(9-11)7-6-15-2/h3-5,8-9,15,17H,6-7H2,1-2H3
InChIKeySGUFANFGTMXEOI-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.35
Rot. Bonds6

About N-(3-fluoro-2-methylphenyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide

N-(3-fluoro-2-methylphenyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide (PubChem CID 106018448) has the molecular formula C13H17FN4O2S and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
PubChem CID106018448
Molecular FormulaC13H17FN4O2S
Molecular Weight312.37 g/mol
Exact Mass312.11
IUPAC NameN-(3-fluoro-2-methylphenyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
SMILESCNCCn1cc(S(=O)(=O)Nc2cccc(F)c2C)cn1
InChIInChI=1S/C13H17FN4O2S/c1-10-12(14)4-3-5-13(10)17-21(19,20)11-8-16-18(9-11)7-6-15-2/h3-5,8-9,15,17H,6-7H2,1-2H3
InChIKeySGUFANFGTMXEOI-UHFFFAOYSA-N
XLogP1.35
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(methylamino)ethyl]-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 106086969
N-(4-fluoro-2-iodophenyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106071507
1-(2-aminoethyl)-N-(3-bromo-2-methylphenyl)pyrazole-4-sulfonamide
CID 106088124
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106054788
1-(2-aminoethyl)-N-(2-bromo-3-methylphenyl)pyrazole-4-sulfonamide
CID 106073844
N-(5-bromo-6-methyl-2-pyridinyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106070412
1-(3-aminopropyl)-N-(2-fluoro-4-methylphenyl)pyrazole-4-sulfonamide
CID 106031094
N-(6-methoxy-3-pyridinyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106059980
1-(2-aminoethyl)-N-(2-chlorophenyl)pyrazole-4-sulfonamide
CID 106061816
N-(cyclobutylmethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114138246
N-(2,3-dimethylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688335
1-[2-(methylamino)ethyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106028775

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide (CID 106018448) is N-(3-fluoro-2-methylphenyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide is CNCCn1cc(S(=O)(=O)Nc2cccc(F)c2C)cn1.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The InChIKey is SGUFANFGTMXEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2S/c1-10-12(14)4-3-5-13(10)17-21(19,20)11-8-16-18(9-11)7-6-15-2/h3-5,8-9,15,17H,6-7H2,1-2H3.
What are the key properties of N-(3-fluoro-2-methylphenyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
N-(3-fluoro-2-methylphenyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide has a molecular weight of 312.37 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106018448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).