N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)benzenesulfonamide

C14H20N4O2S — CID 102806229

IUPACN-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2cn(C)nc2C)cc1
InChIInChI=1S/C14H20N4O2S/c1-4-15-9-12-5-7-13(8-6-12)21(19,20)17-14-10-18(3)16-11(14)2/h5-8,10,15,17H,4,9H2,1-3H3
InChIKeyOSBZLWOJVHCCKD-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.64
Rot. Bonds6

About N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)benzenesulfonamide

N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)benzenesulfonamide (PubChem CID 102806229) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)benzenesulfonamide
PubChem CID102806229
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2cn(C)nc2C)cc1
InChIInChI=1S/C14H20N4O2S/c1-4-15-9-12-5-7-13(8-6-12)21(19,20)17-14-10-18(3)16-11(14)2/h5-8,10,15,17H,4,9H2,1-3H3
InChIKeyOSBZLWOJVHCCKD-UHFFFAOYSA-N
XLogP1.64
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 22209076
4-(ethylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 60823882
N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106086121
N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106086042
4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 60822489
N-(3-ethyl-1-methylpyrazol-4-yl)-4-(2-hydroxyethyl)benzenesulfonamide
CID 106000585
4-(ethylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82873365
3-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803496
4-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]-2-methylbenzenecarbothioamide
CID 106920416
4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 60822085
N-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422470
N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 102807216

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)benzenesulfonamide (CID 102806229) is N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)benzenesulfonamide is CCNCc1ccc(S(=O)(=O)Nc2cn(C)nc2C)cc1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)benzenesulfonamide?
The InChIKey is OSBZLWOJVHCCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-4-15-9-12-5-7-13(8-6-12)21(19,20)17-14-10-18(3)16-11(14)2/h5-8,10,15,17H,4,9H2,1-3H3.
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)benzenesulfonamide?
N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 102806229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).