4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-1-ylphenyl)benzenesulfonamide

C22H21ClN4O2S — CID 25134803

IUPAC4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-1-ylphenyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cnc3ncccc32)cc1
InChIInChI=1S/C22H21ClN4O2S/c1-22(2,3)15-6-9-17(10-7-15)30(28,29)26-18-11-8-16(23)13-20(18)27-14-25-21-19(27)5-4-12-24-21/h4-14,26H,1-3H3
InChIKeyUXSNQRFMPKRYEL-UHFFFAOYSA-N
MW440.96 g/mol
LogP5.17
Rot. Bonds4

About 4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-1-ylphenyl)benzenesulfonamide

4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-1-ylphenyl)benzenesulfonamide (PubChem CID 25134803) has the molecular formula C22H21ClN4O2S and a molecular weight of 440.96 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-1-ylphenyl)benzenesulfonamide
PubChem CID25134803
Molecular FormulaC22H21ClN4O2S
Molecular Weight440.96 g/mol
Exact Mass440.11
IUPAC Name4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-1-ylphenyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cnc3ncccc32)cc1
InChIInChI=1S/C22H21ClN4O2S/c1-22(2,3)15-6-9-17(10-7-15)30(28,29)26-18-11-8-16(23)13-20(18)27-14-25-21-19(27)5-4-12-24-21/h4-14,26H,1-3H3
InChIKeyUXSNQRFMPKRYEL-UHFFFAOYSA-N
XLogP5.17
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.96
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-1-ylphenyl)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

N-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridin-3-yl]benzenesulphonamide
CID 23652981
N-[1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-piperidinyl]benzenesulfonamide
CID 71460978
N-[2-chloro-5-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 141461671
4-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-diethylbenzenesulfonamide
CID 1157247
Benzenesulfonamide, 4-[1-(4-chlorophenyl)-1H-benzimidazol-2-yl]-
CID 11625155
4-chloro-N-(1-methyl-2-{2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-1H-benzimidazol-5-yl)benzenesulfonamide
CID 4910744
n-(5-(2-Aminoimidazo[1,2-a]pyridin-6-yl)-2-chloropyridin-3-yl)-4-fluorobenzenesulfonamide
CID 44125376
N-(5-(Imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)benzenesulfonamide
CID 52936737
N-(5-(3-(Pyridin-4-yl)imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-benzenesulfonamide
CID 52937061
4-chloro-N-[1-(1-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide
CID 59177064
N-(1-(8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl)-4-phenylpiperidin-4-yl)methanesulfonamide
CID 71459194
N-[2-chloro-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 141461655

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-1-ylphenyl)benzenesulfonamide (CID 25134803) is 4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-1-ylphenyl)benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cnc3ncccc32)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-1-ylphenyl)benzenesulfonamide?
The InChIKey is UXSNQRFMPKRYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2S/c1-22(2,3)15-6-9-17(10-7-15)30(28,29)26-18-11-8-16(23)13-20(18)27-14-25-21-19(27)5-4-12-24-21/h4-14,26H,1-3H3.
What are the key properties of 4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-1-ylphenyl)benzenesulfonamide?
4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-1-ylphenyl)benzenesulfonamide has a molecular weight of 440.96 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 25134803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).