4-tert-butyl-N-[5-chloro-2-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]benzenesulfonamide

C21H26ClN5O2S — CID 24804598

IUPAC4-tert-butyl-N-[5-chloro-2-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]benzenesulfonamide
SMILESCC(C)c1nnc(-c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1C
InChIInChI=1S/C21H26ClN5O2S/c1-13(2)19-24-25-20(27(19)6)18-17(11-15(22)12-23-18)26-30(28,29)16-9-7-14(8-10-16)21(3,4)5/h7-13,26H,1-6H3
InChIKeyKSKXPBYWJVPXQK-UHFFFAOYSA-N
MW447.99 g/mol
LogP4.75
Rot. Bonds5

About 4-tert-butyl-N-[5-chloro-2-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]benzenesulfonamide

4-tert-butyl-N-[5-chloro-2-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 24804598) has the molecular formula C21H26ClN5O2S and a molecular weight of 447.99 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-chloro-2-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-chloro-2-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID24804598
Molecular FormulaC21H26ClN5O2S
Molecular Weight447.99 g/mol
Exact Mass447.15
IUPAC Name4-tert-butyl-N-[5-chloro-2-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]benzenesulfonamide
SMILESCC(C)c1nnc(-c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1C
InChIInChI=1S/C21H26ClN5O2S/c1-13(2)19-24-25-20(27(19)6)18-17(11-15(22)12-23-18)26-30(28,29)16-9-7-14(8-10-16)21(3,4)5/h7-13,26H,1-6H3
InChIKeyKSKXPBYWJVPXQK-UHFFFAOYSA-N
XLogP4.75
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.99
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-tert-butyl-N-[5-chloro-2-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-tert-butyl-N-[5-chloro-2-[5-(2-hydroxypropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide
CID 24804444
CID 88909110
CID 88909110
4-tert-butyl-N-(5-chloro-2-ethyl-3-pyridinyl)benzenesulfonamide
CID 173104693
4-tert-butyl-N-[5-chloro-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 59302990
4-tert-butyl-N-[5-chloro-2-(4-methyl-5-piperidin-4-yl-1,5-dihydro-1,2,4-triazol-3-yl)-3-pyridinyl]benzenesulfonamide
CID 143610137
4-tert-butyl-N-(5-chloro-2-imidazo[4,5-b]pyridin-3-yl-3-pyridinyl)benzenesulfonamide
CID 25134464
4-tert-butyl-N-(5-chloro-2-imidazo[4,5-b]pyridin-1-yl-3-pyridinyl)benzenesulfonamide
CID 25134463
N-[1-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-2-pyridinyl]pyrazol-4-yl]acetamide
CID 59428132
4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 3644153
N-[2-(5-aminopyrrolo[3,2-b]pyridin-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide
CID 25134465
4-tert-butyl-N-[4-chloro-2-[5-(2,3-dihydrofuran-4-yl)-4-methyl-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide
CID 70892106
2-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]benzoate
CID 143610397

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-chloro-2-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[5-chloro-2-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]benzenesulfonamide (CID 24804598) is 4-tert-butyl-N-[5-chloro-2-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[5-chloro-2-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[5-chloro-2-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]benzenesulfonamide is CC(C)c1nnc(-c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1C.
What is the InChIKey of 4-tert-butyl-N-[5-chloro-2-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is KSKXPBYWJVPXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O2S/c1-13(2)19-24-25-20(27(19)6)18-17(11-15(22)12-23-18)26-30(28,29)16-9-7-14(8-10-16)21(3,4)5/h7-13,26H,1-6H3.
What are the key properties of 4-tert-butyl-N-[5-chloro-2-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]benzenesulfonamide?
4-tert-butyl-N-[5-chloro-2-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 447.99 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[5-chloro-2-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 24804598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).