4-tert-butyl-N-[2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide

C22H24N6O2S — CID 87203119

IUPAC4-tert-butyl-N-[2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide
SMILESCc1nnc(-c2ccccc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1-c1ccn[nH]1
InChIInChI=1S/C22H24N6O2S/c1-15-24-26-21(28(15)20-13-14-23-25-20)18-7-5-6-8-19(18)27-31(29,30)17-11-9-16(10-12-17)22(2,3)4/h5-14,27H,1-4H3,(H,23,25)
InChIKeyTWLQPFIQGTXQSD-UHFFFAOYSA-N
MW436.54 g/mol
LogP4.06
Rot. Bonds5

About 4-tert-butyl-N-[2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide

4-tert-butyl-N-[2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide (PubChem CID 87203119) has the molecular formula C22H24N6O2S and a molecular weight of 436.54 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide
PubChem CID87203119
Molecular FormulaC22H24N6O2S
Molecular Weight436.54 g/mol
Exact Mass436.17
IUPAC Name4-tert-butyl-N-[2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide
SMILESCc1nnc(-c2ccccc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1-c1ccn[nH]1
InChIInChI=1S/C22H24N6O2S/c1-15-24-26-21(28(15)20-13-14-23-25-20)18-7-5-6-8-19(18)27-31(29,30)17-11-9-16(10-12-17)22(2,3)4/h5-14,27H,1-4H3,(H,23,25)
InChIKeyTWLQPFIQGTXQSD-UHFFFAOYSA-N
XLogP4.06
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-tert-butyl-N-[2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]phenyl]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-[4-chloro-2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide
CID 24994193
4-tert-butyl-N-[5-chloro-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 59302990
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
2-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide
CID 11508929
4-tert-butyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
CID 47074325
4-tert-butyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide
CID 17466064
4-tert-butyl-N-(1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide
CID 118197598
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562
N-(2H-benzotriazol-4-yl)-4-tert-butylbenzenesulfonamide
CID 110732242
N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3526040
N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide
CID 10883729
N-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691460

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide (CID 87203119) is 4-tert-butyl-N-[2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide is Cc1nnc(-c2ccccc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1-c1ccn[nH]1.
What is the InChIKey of 4-tert-butyl-N-[2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide?
The InChIKey is TWLQPFIQGTXQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2S/c1-15-24-26-21(28(15)20-13-14-23-25-20)18-7-5-6-8-19(18)27-31(29,30)17-11-9-16(10-12-17)22(2,3)4/h5-14,27H,1-4H3,(H,23,25).
What are the key properties of 4-tert-butyl-N-[2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide?
4-tert-butyl-N-[2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide has a molecular weight of 436.54 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 87203119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).