N-(azetidin-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide

C16H16N4O2S — CID 44591532

IUPACN-(azetidin-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CNC1)c1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C16H16N4O2S/c21-23(22,20-12-9-17-10-12)13-3-1-11(2-4-13)14-5-7-18-16-15(14)6-8-19-16/h1-8,12,17,20H,9-10H2,(H,18,19)
InChIKeyZFDSWWQGWFRMQV-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.48
Rot. Bonds4

About N-(azetidin-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide

N-(azetidin-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide (PubChem CID 44591532) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-(azetidin-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
PubChem CID44591532
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-(azetidin-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CNC1)c1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C16H16N4O2S/c21-23(22,20-12-9-17-10-12)13-3-1-11(2-4-13)14-5-7-18-16-15(14)6-8-19-16/h1-8,12,17,20H,9-10H2,(H,18,19)
InChIKeyZFDSWWQGWFRMQV-UHFFFAOYSA-N
XLogP1.48
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide (CID 44591532) is N-(azetidin-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide is O=S(=O)(NC1CNC1)c1ccc(-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of N-(azetidin-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
The InChIKey is ZFDSWWQGWFRMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c21-23(22,20-12-9-17-10-12)13-3-1-11(2-4-13)14-5-7-18-16-15(14)6-8-19-16/h1-8,12,17,20H,9-10H2,(H,18,19).
What are the key properties of N-(azetidin-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
N-(azetidin-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide has a molecular weight of 328.40 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide is sourced from PubChem (CID 44591532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).