4-(ethylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide

C13H18N4O2S — CID 60823882

IUPAC4-(ethylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2ccn(C)n2)cc1
InChIInChI=1S/C13H18N4O2S/c1-3-14-10-11-4-6-12(7-5-11)20(18,19)16-13-8-9-17(2)15-13/h4-9,14H,3,10H2,1-2H3,(H,15,16)
InChIKeyILQZWKMUDWLMPQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.33
Rot. Bonds6

About 4-(ethylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide

4-(ethylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 60823882) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID60823882
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name4-(ethylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2ccn(C)n2)cc1
InChIInChI=1S/C13H18N4O2S/c1-3-14-10-11-4-6-12(7-5-11)20(18,19)16-13-8-9-17(2)15-13/h4-9,14H,3,10H2,1-2H3,(H,15,16)
InChIKeyILQZWKMUDWLMPQ-UHFFFAOYSA-N
XLogP1.33
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 54921777
4-(ethylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82873365
2-[4-[(1-methylpyrazol-3-yl)sulfamoyl]phenyl]ethanethioamide
CID 79185565
N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)benzenesulfonamide
CID 102806229
4-(ethylaminomethyl)-N-pyrazin-2-ylbenzenesulfonamide
CID 60823106
4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 60822085
2,3,4,5,6-pentamethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 22209061
4-(ethylaminomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 60822205
3-chloro-4-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 25041271
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(1-methylpyrazol-3-yl)benzamide
CID 55498792
2-(methylamino)-N-(1-methylpyrazol-3-yl)pyrimidine-5-sulfonamide
CID 55043689
4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 60822489

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide (CID 60823882) is 4-(ethylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide is CCNCc1ccc(S(=O)(=O)Nc2ccn(C)n2)cc1.
What is the InChIKey of 4-(ethylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is ILQZWKMUDWLMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-3-14-10-11-4-6-12(7-5-11)20(18,19)16-13-8-9-17(2)15-13/h4-9,14H,3,10H2,1-2H3,(H,15,16).
What are the key properties of 4-(ethylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
4-(ethylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 60823882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).