3-acetyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzenesulfonamide

C16H15N5O3S — CID 121198196

IUPAC3-acetyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCc2cn(-c3cccnc3)nn2)c1
InChIInChI=1S/C16H15N5O3S/c1-12(22)13-4-2-6-16(8-13)25(23,24)18-9-14-11-21(20-19-14)15-5-3-7-17-10-15/h2-8,10-11,18H,9H2,1H3
InChIKeySWXYNPVKGCARRA-UHFFFAOYSA-N
MW357.40 g/mol
LogP1.34
Rot. Bonds6

About 3-acetyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzenesulfonamide

3-acetyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzenesulfonamide (PubChem CID 121198196) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is 3-acetyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzenesulfonamide
PubChem CID121198196
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC Name3-acetyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCc2cn(-c3cccnc3)nn2)c1
InChIInChI=1S/C16H15N5O3S/c1-12(22)13-4-2-6-16(8-13)25(23,24)18-9-14-11-21(20-19-14)15-5-3-7-17-10-15/h2-8,10-11,18H,9H2,1H3
InChIKeySWXYNPVKGCARRA-UHFFFAOYSA-N
XLogP1.34
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-tert-butyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzenesulfonamide
CID 121198210
1-ethyl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198126
4-(diethylsulfamoyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
CID 121198005
N-[(1-pyridin-3-yltriazol-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 121198065
methyl 2-(1-pyridin-3-yltriazol-4-yl)acetate
CID 166390284
3-[4-[[[3-[2-(2-fluorophenyl)ethyl-methylcarbamoyl]phenyl]sulfonylamino]methyl]triazol-1-yl]pyridine-4-carboxylic acid
CID 146147230
4-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
CID 121197820
1-pyridin-3-yl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198111
2,4-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
CID 121197982
4-[4-[[[3-[(2S)-2-methylazetidine-1-carbonyl]phenyl]sulfonylamino]methyl]triazol-1-yl]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167765275
4-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzene-1,4-disulfonamide
CID 121196183
1-(4-methylphenyl)-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198151

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzenesulfonamide (CID 121198196) is 3-acetyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCc2cn(-c3cccnc3)nn2)c1.
What is the InChIKey of 3-acetyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is SWXYNPVKGCARRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S/c1-12(22)13-4-2-6-16(8-13)25(23,24)18-9-14-11-21(20-19-14)15-5-3-7-17-10-15/h2-8,10-11,18H,9H2,1H3.
What are the key properties of 3-acetyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzenesulfonamide?
3-acetyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 357.40 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 121198196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).