3-(propan-2-ylsulfamoyl)-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]benzamide

C17H18N6O3S — CID 167885767

IUPAC3-(propan-2-ylsulfamoyl)-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3cncn3)cn2)c1
InChIInChI=1S/C17H18N6O3S/c1-12(2)22-27(25,26)15-5-3-4-13(8-15)17(24)21-16-7-6-14(9-19-16)23-11-18-10-20-23/h3-12,22H,1-2H3,(H,19,21,24)
InChIKeyMPWPWTOAJKFGQV-UHFFFAOYSA-N
MW386.44 g/mol
LogP1.60
Rot. Bonds6

About 3-(propan-2-ylsulfamoyl)-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]benzamide

3-(propan-2-ylsulfamoyl)-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]benzamide (PubChem CID 167885767) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is 3-(propan-2-ylsulfamoyl)-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-(propan-2-ylsulfamoyl)-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]benzamide
PubChem CID167885767
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC Name3-(propan-2-ylsulfamoyl)-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3cncn3)cn2)c1
InChIInChI=1S/C17H18N6O3S/c1-12(2)22-27(25,26)15-5-3-4-13(8-15)17(24)21-16-7-6-14(9-19-16)23-11-18-10-20-23/h3-12,22H,1-2H3,(H,19,21,24)
InChIKeyMPWPWTOAJKFGQV-UHFFFAOYSA-N
XLogP1.60
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide
CID 35035772
6-methyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide
CID 119048406
N-(4-acetamidophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26499556
2,4-dimethyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]pyrimidine-5-carboxamide
CID 119048415
3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 41074571
3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 41074570
N-(4-morpholin-4-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26639375
3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 31309454
3-[ethyl(phenyl)sulfamoyl]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 25383114
3-(propan-2-ylsulfamoyl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide
CID 71847685
N-(2-propan-2-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 17438081
N-(2,3-dimethylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26538375

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylsulfamoyl)-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]benzamide?
The IUPAC name of 3-(propan-2-ylsulfamoyl)-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]benzamide (CID 167885767) is 3-(propan-2-ylsulfamoyl)-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-(propan-2-ylsulfamoyl)-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 3-(propan-2-ylsulfamoyl)-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]benzamide is CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3cncn3)cn2)c1.
What is the InChIKey of 3-(propan-2-ylsulfamoyl)-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]benzamide?
The InChIKey is MPWPWTOAJKFGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c1-12(2)22-27(25,26)15-5-3-4-13(8-15)17(24)21-16-7-6-14(9-19-16)23-11-18-10-20-23/h3-12,22H,1-2H3,(H,19,21,24).
What are the key properties of 3-(propan-2-ylsulfamoyl)-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]benzamide?
3-(propan-2-ylsulfamoyl)-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]benzamide has a molecular weight of 386.44 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylsulfamoyl)-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 167885767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).