4-(diethylsulfamoyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide

C19H22N6O3S — CID 121198005

IUPAC4-(diethylsulfamoyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2cn(-c3cccnc3)nn2)cc1
InChIInChI=1S/C19H22N6O3S/c1-3-24(4-2)29(27,28)18-9-7-15(8-10-18)19(26)21-12-16-14-25(23-22-16)17-6-5-11-20-13-17/h5-11,13-14H,3-4,12H2,1-2H3,(H,21,26)
InChIKeyKORRTEHUYKMUFI-UHFFFAOYSA-N
MW414.49 g/mol
LogP1.62
Rot. Bonds8

About 4-(diethylsulfamoyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide

4-(diethylsulfamoyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide (PubChem CID 121198005) has the molecular formula C19H22N6O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
PubChem CID121198005
Molecular FormulaC19H22N6O3S
Molecular Weight414.49 g/mol
Exact Mass414.15
IUPAC Name4-(diethylsulfamoyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2cn(-c3cccnc3)nn2)cc1
InChIInChI=1S/C19H22N6O3S/c1-3-24(4-2)29(27,28)18-9-7-15(8-10-18)19(26)21-12-16-14-25(23-22-16)17-6-5-11-20-13-17/h5-11,13-14H,3-4,12H2,1-2H3,(H,21,26)
InChIKeyKORRTEHUYKMUFI-UHFFFAOYSA-N
XLogP1.62
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
CID 121197820
2,4-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
CID 121197982
1-ethyl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198126
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenyltriazole-4-carboxamide
CID 46422654
3-methyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]butanamide
CID 121197969
4-tert-butyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzenesulfonamide
CID 121198210
2-pyrazol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide
CID 121198041
4-(diethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 4882047
3-acetyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzenesulfonamide
CID 121198196
4-(diethylsulfamoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728458
4-(dimethylamino)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195791
1-(4-methylphenyl)-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198151

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide (CID 121198005) is 4-(diethylsulfamoyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2cn(-c3cccnc3)nn2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide?
The InChIKey is KORRTEHUYKMUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3S/c1-3-24(4-2)29(27,28)18-9-7-15(8-10-18)19(26)21-12-16-14-25(23-22-16)17-6-5-11-20-13-17/h5-11,13-14H,3-4,12H2,1-2H3,(H,21,26).
What are the key properties of 4-(diethylsulfamoyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide?
4-(diethylsulfamoyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide has a molecular weight of 414.49 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide is sourced from PubChem (CID 121198005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).