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

C18H13ClN4O2S — CID 164613097

IUPACN-[2-chloro-5-(1H-pyrrolo[3,2-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3[nH]ccc3n2)cnc1Cl)c1ccccc1
InChIInChI=1S/C18H13ClN4O2S/c19-18-17(23-26(24,25)13-4-2-1-3-5-13)10-12(11-21-18)14-6-7-15-16(22-14)8-9-20-15/h1-11,20,23H
InChIKeyCAKKADDYRGRSPL-UHFFFAOYSA-N
MW384.85 g/mol
LogP4.08
Rot. Bonds4

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

N-[2-chloro-5-(1H-pyrrolo[3,2-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 164613097) has the molecular formula C18H13ClN4O2S and a molecular weight of 384.85 g/mol. Its IUPAC name is N-[2-chloro-5-(1H-pyrrolo[3,2-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(1H-pyrrolo[3,2-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID164613097
Molecular FormulaC18H13ClN4O2S
Molecular Weight384.85 g/mol
Exact Mass384.04
IUPAC NameN-[2-chloro-5-(1H-pyrrolo[3,2-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3[nH]ccc3n2)cnc1Cl)c1ccccc1
InChIInChI=1S/C18H13ClN4O2S/c19-18-17(23-26(24,25)13-4-2-1-3-5-13)10-12(11-21-18)14-6-7-15-16(22-14)8-9-20-15/h1-11,20,23H
InChIKeyCAKKADDYRGRSPL-UHFFFAOYSA-N
XLogP4.08
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 54.08
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-(1H-pyrrolo[3,2-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(1H-pyrrolo[3,2-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide (CID 164613097) is N-[2-chloro-5-(1H-pyrrolo[3,2-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(1H-pyrrolo[3,2-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(1H-pyrrolo[3,2-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cc(-c2ccc3[nH]ccc3n2)cnc1Cl)c1ccccc1.
What is the InChIKey of N-[2-chloro-5-(1H-pyrrolo[3,2-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is CAKKADDYRGRSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2S/c19-18-17(23-26(24,25)13-4-2-1-3-5-13)10-12(11-21-18)14-6-7-15-16(22-14)8-9-20-15/h1-11,20,23H.
What are the key properties of N-[2-chloro-5-(1H-pyrrolo[3,2-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
N-[2-chloro-5-(1H-pyrrolo[3,2-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 384.85 g/mol, XLogP of 4.08, 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-(1H-pyrrolo[3,2-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 164613097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).