N-[4-chloro-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-propan-2-yloxybenzenesulfonamide

C21H25ClN4O3S — CID 24994500

IUPACN-[4-chloro-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCc1nnc(-c2cc(Cl)ccc2NS(=O)(=O)c2ccc(OC(C)C)cc2)n1C(C)C
InChIInChI=1S/C21H25ClN4O3S/c1-13(2)26-15(5)23-24-21(26)19-12-16(22)6-11-20(19)25-30(27,28)18-9-7-17(8-10-18)29-14(3)4/h6-14,25H,1-5H3
InChIKeyCSLCTDUYUPDQMX-UHFFFAOYSA-N
MW448.98 g/mol
LogP5.08
Rot. Bonds7

About N-[4-chloro-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-propan-2-yloxybenzenesulfonamide

N-[4-chloro-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 24994500) has the molecular formula C21H25ClN4O3S and a molecular weight of 448.98 g/mol. Its IUPAC name is N-[4-chloro-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID24994500
Molecular FormulaC21H25ClN4O3S
Molecular Weight448.98 g/mol
Exact Mass448.13
IUPAC NameN-[4-chloro-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCc1nnc(-c2cc(Cl)ccc2NS(=O)(=O)c2ccc(OC(C)C)cc2)n1C(C)C
InChIInChI=1S/C21H25ClN4O3S/c1-13(2)26-15(5)23-24-21(26)19-12-16(22)6-11-20(19)25-30(27,28)18-9-7-17(8-10-18)29-14(3)4/h6-14,25H,1-5H3
InChIKeyCSLCTDUYUPDQMX-UHFFFAOYSA-N
XLogP5.08
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.98
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-chloro-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-propan-2-yloxybenzenesulfonamide 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-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 59302990
N-[4-chloro-2-(4-pyrrolidin-3-yl-1,2,4-triazol-3-yl)phenyl]-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 66905857
N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 10073118
N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 4995778
4-tert-butyl-N-[4-chloro-2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide
CID 24994193
N-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide
CID 103764001
N-(5-methyl-2H-triazol-4-yl)-4-propan-2-yloxybenzenesulfonamide
CID 126828292
N-[4-chloro-2-(3-methoxyphenyl)phenyl]-4-methylbenzenesulfonamide
CID 135075139
N-[2-[(4-propan-2-yloxyphenyl)sulfonylamino]phenyl]acetamide
CID 113093731
methyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]benzoate
CID 110756559
4-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 5431289
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112990448

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[4-chloro-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-propan-2-yloxybenzenesulfonamide (CID 24994500) is N-[4-chloro-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[4-chloro-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[4-chloro-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-propan-2-yloxybenzenesulfonamide is Cc1nnc(-c2cc(Cl)ccc2NS(=O)(=O)c2ccc(OC(C)C)cc2)n1C(C)C.
What is the InChIKey of N-[4-chloro-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is CSLCTDUYUPDQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O3S/c1-13(2)26-15(5)23-24-21(26)19-12-16(22)6-11-20(19)25-30(27,28)18-9-7-17(8-10-18)29-14(3)4/h6-14,25H,1-5H3.
What are the key properties of N-[4-chloro-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-propan-2-yloxybenzenesulfonamide?
N-[4-chloro-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 448.98 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 24994500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).