N-(2-chloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

C11H8ClN5O2S — CID 116798817

IUPACN-(2-chloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccnc(Cl)n1)c1c[nH]c2ncccc12
InChIInChI=1S/C11H8ClN5O2S/c12-11-14-5-3-9(16-11)17-20(18,19)8-6-15-10-7(8)2-1-4-13-10/h1-6H,(H,13,15)(H,14,16,17)
InChIKeyHOQPXFBIMKDFKV-UHFFFAOYSA-N
MW309.74 g/mol
LogP1.81
Rot. Bonds3

About N-(2-chloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

N-(2-chloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 116798817) has the molecular formula C11H8ClN5O2S and a molecular weight of 309.74 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID116798817
Molecular FormulaC11H8ClN5O2S
Molecular Weight309.74 g/mol
Exact Mass309.01
IUPAC NameN-(2-chloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccnc(Cl)n1)c1c[nH]c2ncccc12
InChIInChI=1S/C11H8ClN5O2S/c12-11-14-5-3-9(16-11)17-20(18,19)8-6-15-10-7(8)2-1-4-13-10/h1-6H,(H,13,15)(H,14,16,17)
InChIKeyHOQPXFBIMKDFKV-UHFFFAOYSA-N
XLogP1.81
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.74
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide
CID 114795856
N-(2-aminophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 61168850
N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 105055687
N-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 115303409
N-(2-bromo-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 60560655
N-(4-propylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 142393211
N-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 60560681
2-amino-4-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide
CID 116794766
N-(3-fluoro-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53173972
N-[3-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
CID 119964781
2,5-dibromo-N-(2-chloropyrimidin-4-yl)thiophene-3-sulfonamide
CID 116798850
N-(3-aminobutyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 55169893

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 116798817) is N-(2-chloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is O=S(=O)(Nc1ccnc(Cl)n1)c1c[nH]c2ncccc12.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is HOQPXFBIMKDFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5O2S/c12-11-14-5-3-9(16-11)17-20(18,19)8-6-15-10-7(8)2-1-4-13-10/h1-6H,(H,13,15)(H,14,16,17).
What are the key properties of N-(2-chloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-(2-chloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 309.74 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 116798817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).