N-[2-(5-aminopyrrolo[3,2-b]pyridin-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide

C22H22ClN5O2S — CID 25134465

IUPACN-[2-(5-aminopyrrolo[3,2-b]pyridin-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2-n2ccc3nc(N)ccc32)cc1
InChIInChI=1S/C22H22ClN5O2S/c1-22(2,3)14-4-6-16(7-5-14)31(29,30)27-18-12-15(23)13-25-21(18)28-11-10-17-19(28)8-9-20(24)26-17/h4-13,27H,1-3H3,(H2,24,26)
InChIKeyJRYTVTWBMGTHDP-UHFFFAOYSA-N
MW455.97 g/mol
LogP4.75
Rot. Bonds4

About N-[2-(5-aminopyrrolo[3,2-b]pyridin-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide

N-[2-(5-aminopyrrolo[3,2-b]pyridin-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide (PubChem CID 25134465) has the molecular formula C22H22ClN5O2S and a molecular weight of 455.97 g/mol. Its IUPAC name is N-[2-(5-aminopyrrolo[3,2-b]pyridin-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-aminopyrrolo[3,2-b]pyridin-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide
PubChem CID25134465
Molecular FormulaC22H22ClN5O2S
Molecular Weight455.97 g/mol
Exact Mass455.12
IUPAC NameN-[2-(5-aminopyrrolo[3,2-b]pyridin-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2-n2ccc3nc(N)ccc32)cc1
InChIInChI=1S/C22H22ClN5O2S/c1-22(2,3)14-4-6-16(7-5-14)31(29,30)27-18-12-15(23)13-25-21(18)28-11-10-17-19(28)8-9-20(24)26-17/h4-13,27H,1-3H3,(H2,24,26)
InChIKeyJRYTVTWBMGTHDP-UHFFFAOYSA-N
XLogP4.75
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.97
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(5-aminopyrrolo[3,2-b]pyridin-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide with MolForge

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Related Compounds

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
CID 88909110
CID 88909110
4-tert-butyl-N-(5-chloro-2-ethyl-3-pyridinyl)benzenesulfonamide
CID 173104693
4-tert-butyl-N-(4-chloro-2-pyrrolo[3,2-b]pyridin-1-ylphenyl)benzenesulfonamide
CID 25134984
N-[1-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-2-pyridinyl]pyrazol-4-yl]acetamide
CID 59428132
4-tert-butyl-N-[5-chloro-2-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]benzenesulfonamide
CID 24804598
4-tert-butyl-N-(4-chloro-2-imidazo[4,5-c]pyridin-1-ylphenyl)benzenesulfonamide
CID 25134925
2-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]benzoate
CID 143610397
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
4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 3644153
1-(4-tert-butylphenyl)sulfonyl-5-chloropyrrolo[3,2-b]pyridine
CID 141163503

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-aminopyrrolo[3,2-b]pyridin-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide?
The IUPAC name of N-[2-(5-aminopyrrolo[3,2-b]pyridin-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide (CID 25134465) is N-[2-(5-aminopyrrolo[3,2-b]pyridin-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide.
What is the SMILES notation for N-[2-(5-aminopyrrolo[3,2-b]pyridin-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide?
The canonical SMILES for N-[2-(5-aminopyrrolo[3,2-b]pyridin-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2-n2ccc3nc(N)ccc32)cc1.
What is the InChIKey of N-[2-(5-aminopyrrolo[3,2-b]pyridin-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide?
The InChIKey is JRYTVTWBMGTHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2S/c1-22(2,3)14-4-6-16(7-5-14)31(29,30)27-18-12-15(23)13-25-21(18)28-11-10-17-19(28)8-9-20(24)26-17/h4-13,27H,1-3H3,(H2,24,26).
What are the key properties of N-[2-(5-aminopyrrolo[3,2-b]pyridin-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide?
N-[2-(5-aminopyrrolo[3,2-b]pyridin-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide has a molecular weight of 455.97 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-aminopyrrolo[3,2-b]pyridin-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide is sourced from PubChem (CID 25134465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).