N-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine-1-carboxamide

C14H10ClN3O3S — CID 155814388

IUPACN-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)n1ccc2c(Cl)ccnc21
InChIInChI=1S/C14H10ClN3O3S/c15-12-6-8-16-13-11(12)7-9-18(13)14(19)17-22(20,21)10-4-2-1-3-5-10/h1-9H,(H,17,19)
InChIKeyRHFMBXSVQZLTHQ-UHFFFAOYSA-N
MW335.77 g/mol
LogP2.64
Rot. Bonds2

About N-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine-1-carboxamide

N-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine-1-carboxamide (PubChem CID 155814388) has the molecular formula C14H10ClN3O3S and a molecular weight of 335.77 g/mol. Its IUPAC name is N-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine-1-carboxamide
PubChem CID155814388
Molecular FormulaC14H10ClN3O3S
Molecular Weight335.77 g/mol
Exact Mass335.01
IUPAC NameN-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)n1ccc2c(Cl)ccnc21
InChIInChI=1S/C14H10ClN3O3S/c15-12-6-8-16-13-11(12)7-9-18(13)14(19)17-22(20,21)10-4-2-1-3-5-10/h1-9H,(H,17,19)
InChIKeyRHFMBXSVQZLTHQ-UHFFFAOYSA-N
XLogP2.64
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine-1-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine-1-carboxamide (CID 155814388) is N-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine-1-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine-1-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine-1-carboxamide is O=C(NS(=O)(=O)c1ccccc1)n1ccc2c(Cl)ccnc21.
What is the InChIKey of N-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine-1-carboxamide?
The InChIKey is RHFMBXSVQZLTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3S/c15-12-6-8-16-13-11(12)7-9-18(13)14(19)17-22(20,21)10-4-2-1-3-5-10/h1-9H,(H,17,19).
What are the key properties of N-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine-1-carboxamide?
N-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine-1-carboxamide has a molecular weight of 335.77 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 155814388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).