4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine

C18H13ClN4O2S — CID 67330242

IUPAC4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine
SMILESNc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3nccc(Cl)c23)ccn1
InChIInChI=1S/C18H13ClN4O2S/c19-15-7-9-22-18-17(15)14(12-6-8-21-16(20)10-12)11-23(18)26(24,25)13-4-2-1-3-5-13/h1-11H,(H2,20,21)
InChIKeyAWPKHOIALDBUND-UHFFFAOYSA-N
MW384.85 g/mol
LogP3.57
Rot. Bonds3

About 4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine

4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine (PubChem CID 67330242) has the molecular formula C18H13ClN4O2S and a molecular weight of 384.85 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine
PubChem CID67330242
Molecular FormulaC18H13ClN4O2S
Molecular Weight384.85 g/mol
Exact Mass384.04
IUPAC Name4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine
SMILESNc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3nccc(Cl)c23)ccn1
InChIInChI=1S/C18H13ClN4O2S/c19-15-7-9-22-18-17(15)14(12-6-8-21-16(20)10-12)11-23(18)26(24,25)13-4-2-1-3-5-13/h1-11H,(H2,20,21)
InChIKeyAWPKHOIALDBUND-UHFFFAOYSA-N
XLogP3.57
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-Chloro-N-Cyclohexyl-4-(1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyridin-2-Amine
CID 49843482
N-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridin-3-yl]benzenesulphonamide
CID 23652981
3-[[5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
CID 70648685
N-[2-chloro-5-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 141461671
Benzenesulfonamide, N-[2-chloro-5-[3-(4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-4-fluoro-
CID 145977475
4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
CID 134812697
N-[2-chloro-5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide
CID 145966764
N-[2-chloro-5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 145973569
4-[5-Bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine
CID 44527045
1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CID 852078
2-{3-[(3-Chlorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethylamine
CID 10472158
N-(2-(dimethylamino)ethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
CID 23648887

Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine?
The IUPAC name of 4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine (CID 67330242) is 4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for 4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine?
The canonical SMILES for 4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine is Nc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3nccc(Cl)c23)ccn1.
What is the InChIKey of 4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine?
The InChIKey is AWPKHOIALDBUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2S/c19-15-7-9-22-18-17(15)14(12-6-8-21-16(20)10-12)11-23(18)26(24,25)13-4-2-1-3-5-13/h1-11H,(H2,20,21).
What are the key properties of 4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine?
4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine has a molecular weight of 384.85 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 67330242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).