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

C18H15ClN4O2S — CID 164621396

IUPACN-[2-chloro-5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cnc3c(c2)CCN3)cnc1Cl)c1ccccc1
InChIInChI=1S/C18H15ClN4O2S/c19-17-16(23-26(24,25)15-4-2-1-3-5-15)9-14(10-21-17)13-8-12-6-7-20-18(12)22-11-13/h1-5,8-11,23H,6-7H2,(H,20,22)
InChIKeyMCLMKIGSCDBKOH-UHFFFAOYSA-N
MW386.86 g/mol
LogP3.57
Rot. Bonds4

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

N-[2-chloro-5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 164621396) has the molecular formula C18H15ClN4O2S and a molecular weight of 386.86 g/mol. Its IUPAC name is N-[2-chloro-5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID164621396
Molecular FormulaC18H15ClN4O2S
Molecular Weight386.86 g/mol
Exact Mass386.06
IUPAC NameN-[2-chloro-5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cnc3c(c2)CCN3)cnc1Cl)c1ccccc1
InChIInChI=1S/C18H15ClN4O2S/c19-17-16(23-26(24,25)15-4-2-1-3-5-15)9-14(10-21-17)13-8-12-6-7-20-18(12)22-11-13/h1-5,8-11,23H,6-7H2,(H,20,22)
InChIKeyMCLMKIGSCDBKOH-UHFFFAOYSA-N
XLogP3.57
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Chlorophenyl)sulfonyl-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline
CID 90469114
N-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridin-3-yl]benzenesulphonamide
CID 23652981
1-(Benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine
CID 67156504
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
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
6-amino-N-(3-chloro-1H-indol-7-yl)pyridine-3-sulfonamide
CID 9818618
N-(5-(2-Amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyridin-3-yl)-4-chlorobenzenesulfonamide
CID 42623385
N-(5-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-2-chloropyridin-3-yl)-4-fluorobenzenesulfonamide
CID 44125256
n-(5-(2-Aminoimidazo[1,2-a]pyridin-6-yl)-2-chloropyridin-3-yl)-4-fluorobenzenesulfonamide
CID 44125376
N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 44125377

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide (CID 164621396) is N-[2-chloro-5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cc(-c2cnc3c(c2)CCN3)cnc1Cl)c1ccccc1.
What is the InChIKey of N-[2-chloro-5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is MCLMKIGSCDBKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2S/c19-17-16(23-26(24,25)15-4-2-1-3-5-15)9-14(10-21-17)13-8-12-6-7-20-18(12)22-11-13/h1-5,8-11,23H,6-7H2,(H,20,22).
What are the key properties of N-[2-chloro-5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
N-[2-chloro-5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 386.86 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 164621396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).