3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide

C13H17FN4O2S — CID 107462572

IUPAC3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)c1ccc(F)c(CN)c1
InChIInChI=1S/C13H17FN4O2S/c1-3-12-13(8-18(2)16-12)17-21(19,20)10-4-5-11(14)9(6-10)7-15/h4-6,8,17H,3,7,15H2,1-2H3
InChIKeyGOUKOLVPMHIMKA-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.38
Rot. Bonds5

About 3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide

3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide (PubChem CID 107462572) has the molecular formula C13H17FN4O2S and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide
PubChem CID107462572
Molecular FormulaC13H17FN4O2S
Molecular Weight312.37 g/mol
Exact Mass312.11
IUPAC Name3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)c1ccc(F)c(CN)c1
InChIInChI=1S/C13H17FN4O2S/c1-3-12-13(8-18(2)16-12)17-21(19,20)10-4-5-11(14)9(6-10)7-15/h4-6,8,17H,3,7,15H2,1-2H3
InChIKeyGOUKOLVPMHIMKA-UHFFFAOYSA-N
XLogP1.38
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107462568
4-amino-3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107463815
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 107462034
4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzenesulfonamide
CID 107461994
4-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]benzenecarbothioamide
CID 107463279
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)pyridine-4-sulfonamide
CID 107462605
4-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-1H-pyrazole-5-sulfonamide
CID 106090355
N-(3-ethyl-1-methylpyrazol-4-yl)-4-(2-hydroxyethyl)benzenesulfonamide
CID 106000585
3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 63287880
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)ethanesulfonamide
CID 107462576
3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63287982
N-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 107464429

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide (CID 107462572) is 3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide is CCc1nn(C)cc1NS(=O)(=O)c1ccc(F)c(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide?
The InChIKey is GOUKOLVPMHIMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2S/c1-3-12-13(8-18(2)16-12)17-21(19,20)10-4-5-11(14)9(6-10)7-15/h4-6,8,17H,3,7,15H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide?
3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide has a molecular weight of 312.37 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 107462572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).