3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide

C19H24N6O3S — CID 118470198

IUPAC3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)(C)O)cc1-c1cnc(N)c(-c2cnn(C)n2)c1
InChIInChI=1S/C19H24N6O3S/c1-12-5-6-14(29(27,28)23-11-19(2,3)26)8-15(12)13-7-16(18(20)21-9-13)17-10-22-25(4)24-17/h5-10,23,26H,11H2,1-4H3,(H2,20,21)
InChIKeyOUGWFIXWGKIEGR-UHFFFAOYSA-N
MW416.51 g/mol
LogP1.48
Rot. Bonds6

About 3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide

3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide (PubChem CID 118470198) has the molecular formula C19H24N6O3S and a molecular weight of 416.51 g/mol. Its IUPAC name is 3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
PubChem CID118470198
Molecular FormulaC19H24N6O3S
Molecular Weight416.51 g/mol
Exact Mass416.16
IUPAC Name3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)(C)O)cc1-c1cnc(N)c(-c2cnn(C)n2)c1
InChIInChI=1S/C19H24N6O3S/c1-12-5-6-14(29(27,28)23-11-19(2,3)26)8-15(12)13-7-16(18(20)21-9-13)17-10-22-25(4)24-17/h5-10,23,26H,11H2,1-4H3,(H2,20,21)
InChIKeyOUGWFIXWGKIEGR-UHFFFAOYSA-N
XLogP1.48
TPSA136.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide (CID 118470198) is 3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(C)(C)O)cc1-c1cnc(N)c(-c2cnn(C)n2)c1.
What is the InChIKey of 3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The InChIKey is OUGWFIXWGKIEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3S/c1-12-5-6-14(29(27,28)23-11-19(2,3)26)8-15(12)13-7-16(18(20)21-9-13)17-10-22-25(4)24-17/h5-10,23,26H,11H2,1-4H3,(H2,20,21).
What are the key properties of 3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide has a molecular weight of 416.51 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 118470198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).