N-ethyl-3-(2-methylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide

C18H20N4O2S — CID 171907244

IUPACN-ethyl-3-(2-methylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1ccncc1)S(=O)(=O)c1cccc(-c2ccnn2C)c1
InChIInChI=1S/C18H20N4O2S/c1-3-22(14-15-7-10-19-11-8-15)25(23,24)17-6-4-5-16(13-17)18-9-12-20-21(18)2/h4-13H,3,14H2,1-2H3
InChIKeyFPWAEEPVXPZLPT-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.69
Rot. Bonds6

About N-ethyl-3-(2-methylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide

N-ethyl-3-(2-methylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 171907244) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-ethyl-3-(2-methylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3-(2-methylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID171907244
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-ethyl-3-(2-methylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1ccncc1)S(=O)(=O)c1cccc(-c2ccnn2C)c1
InChIInChI=1S/C18H20N4O2S/c1-3-22(14-15-7-10-19-11-8-15)25(23,24)17-6-4-5-16(13-17)18-9-12-20-21(18)2/h4-13H,3,14H2,1-2H3
InChIKeyFPWAEEPVXPZLPT-UHFFFAOYSA-N
XLogP2.69
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7938079
4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61138237
N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 5003248
N-benzyl-N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 50839258
4-[[ethyl(sulfamoyl)amino]methyl]pyridine
CID 112688980
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
3-amino-N-ethyl-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 61139761
N-benzyl-N-ethyl-3-nitrobenzenesulfonamide
CID 39847517
6-amino-5-chloro-N-ethyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 64601867
4-[ethyl(pyridin-4-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63618317
3-chloro-N-[(3-cyano-2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 19844895
N,N-diethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 13409705

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-3-(2-methylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 171907244) is N-ethyl-3-(2-methylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-3-(2-methylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-3-(2-methylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide is CCN(Cc1ccncc1)S(=O)(=O)c1cccc(-c2ccnn2C)c1.
What is the InChIKey of N-ethyl-3-(2-methylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is FPWAEEPVXPZLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-3-22(14-15-7-10-19-11-8-15)25(23,24)17-6-4-5-16(13-17)18-9-12-20-21(18)2/h4-13H,3,14H2,1-2H3.
What are the key properties of N-ethyl-3-(2-methylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
N-ethyl-3-(2-methylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 171907244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).