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

C19H22N4O3S — CID 23648889

IUPACN-(2-morpholin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C19H22N4O3S/c24-27(25,22-9-10-23-11-13-26-14-12-23)16-3-1-15(2-4-16)17-5-7-20-19-18(17)6-8-21-19/h1-8,22H,9-14H2,(H,20,21)
InChIKeyOPHVXVMXQQZEKA-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.84
Rot. Bonds6

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

N-(2-morpholin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide (PubChem CID 23648889) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
PubChem CID23648889
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-(2-morpholin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C19H22N4O3S/c24-27(25,22-9-10-23-11-13-26-14-12-23)16-3-1-15(2-4-16)17-5-7-20-19-18(17)6-8-21-19/h1-8,22H,9-14H2,(H,20,21)
InChIKeyOPHVXVMXQQZEKA-UHFFFAOYSA-N
XLogP1.84
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide (CID 23648889) is N-(2-morpholin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide is O=S(=O)(NCCN1CCOCC1)c1ccc(-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
The InChIKey is OPHVXVMXQQZEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c24-27(25,22-9-10-23-11-13-26-14-12-23)16-3-1-15(2-4-16)17-5-7-20-19-18(17)6-8-21-19/h1-8,22H,9-14H2,(H,20,21).
What are the key properties of N-(2-morpholin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
N-(2-morpholin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide has a molecular weight of 386.48 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide is sourced from PubChem (CID 23648889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).