N-[2-chloro-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide

C19H15ClN4O2S — CID 141461658

IUPACN-[2-chloro-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
SMILESCc1cc2cc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)cnc2[nH]1
InChIInChI=1S/C19H15ClN4O2S/c1-12-7-13-8-14(11-22-19(13)23-12)15-9-17(18(20)21-10-15)24-27(25,26)16-5-3-2-4-6-16/h2-11,24H,1H3,(H,22,23)
InChIKeyZNUXYEANABFFJO-UHFFFAOYSA-N
MW398.88 g/mol
LogP4.39
Rot. Bonds4

About N-[2-chloro-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide

N-[2-chloro-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 141461658) has the molecular formula C19H15ClN4O2S and a molecular weight of 398.88 g/mol. Its IUPAC name is N-[2-chloro-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID141461658
Molecular FormulaC19H15ClN4O2S
Molecular Weight398.88 g/mol
Exact Mass398.06
IUPAC NameN-[2-chloro-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
SMILESCc1cc2cc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)cnc2[nH]1
InChIInChI=1S/C19H15ClN4O2S/c1-12-7-13-8-14(11-22-19(13)23-12)15-9-17(18(20)21-10-15)24-27(25,26)16-5-3-2-4-6-16/h2-11,24H,1H3,(H,22,23)
InChIKeyZNUXYEANABFFJO-UHFFFAOYSA-N
XLogP4.39
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.88
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide (CID 141461658) is N-[2-chloro-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide is Cc1cc2cc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)cnc2[nH]1.
What is the InChIKey of N-[2-chloro-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is ZNUXYEANABFFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2S/c1-12-7-13-8-14(11-22-19(13)23-12)15-9-17(18(20)21-10-15)24-27(25,26)16-5-3-2-4-6-16/h2-11,24H,1H3,(H,22,23).
What are the key properties of N-[2-chloro-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
N-[2-chloro-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 398.88 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 141461658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).