4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-3-ylphenyl)benzenesulfonamide

C22H21ClN4O2S — CID 25134864

IUPAC4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-3-ylphenyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cnc3cccnc32)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)27-14-25-19-5-4-12-24-21(19)27/h4-14,26H,1-3H3
InChIKeyWXEONKJXKBLMCJ-UHFFFAOYSA-N
MW440.96 g/mol
LogP5.17
Rot. Bonds4

About 4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-3-ylphenyl)benzenesulfonamide

4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-3-ylphenyl)benzenesulfonamide (PubChem CID 25134864) 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-3-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-3-ylphenyl)benzenesulfonamide
PubChem CID25134864
Molecular FormulaC22H21ClN4O2S
Molecular Weight440.96 g/mol
Exact Mass440.11
IUPAC Name4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-3-ylphenyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cnc3cccnc32)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)27-14-25-19-5-4-12-24-21(19)27/h4-14,26H,1-3H3
InChIKeyWXEONKJXKBLMCJ-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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-3-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-3-ylphenyl)benzenesulfonamide (CID 25134864) is 4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-3-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-3-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-3-ylphenyl)benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cnc3cccnc32)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-3-ylphenyl)benzenesulfonamide?
The InChIKey is WXEONKJXKBLMCJ-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)27-14-25-19-5-4-12-24-21(19)27/h4-14,26H,1-3H3.
What are the key properties of 4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-3-ylphenyl)benzenesulfonamide?
4-tert-butyl-N-(4-chloro-2-imidazo[4,5-b]pyridin-3-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-3-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 25134864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).