5-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxyethyl)pyridine-2-sulfonamide

C18H22N4O3S — CID 59406223

IUPAC5-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxyethyl)pyridine-2-sulfonamide
SMILESCC(C)(C)c1cc2c(-c3ccc(S(=O)(=O)NCCO)nc3)ccnc2[nH]1
InChIInChI=1S/C18H22N4O3S/c1-18(2,3)15-10-14-13(6-7-19-17(14)22-15)12-4-5-16(20-11-12)26(24,25)21-8-9-23/h4-7,10-11,21,23H,8-9H2,1-3H3,(H,19,22)
InChIKeyRNIBRVIXGMUETP-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.19
Rot. Bonds5

About 5-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxyethyl)pyridine-2-sulfonamide

5-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxyethyl)pyridine-2-sulfonamide (PubChem CID 59406223) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 5-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxyethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxyethyl)pyridine-2-sulfonamide
PubChem CID59406223
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name5-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxyethyl)pyridine-2-sulfonamide
SMILESCC(C)(C)c1cc2c(-c3ccc(S(=O)(=O)NCCO)nc3)ccnc2[nH]1
InChIInChI=1S/C18H22N4O3S/c1-18(2,3)15-10-14-13(6-7-19-17(14)22-15)12-4-5-16(20-11-12)26(24,25)21-8-9-23/h4-7,10-11,21,23H,8-9H2,1-3H3,(H,19,22)
InChIKeyRNIBRVIXGMUETP-UHFFFAOYSA-N
XLogP2.19
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxyethyl)pyridine-2-sulfonamide?
The IUPAC name of 5-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxyethyl)pyridine-2-sulfonamide (CID 59406223) is 5-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxyethyl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxyethyl)pyridine-2-sulfonamide?
The canonical SMILES for 5-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxyethyl)pyridine-2-sulfonamide is CC(C)(C)c1cc2c(-c3ccc(S(=O)(=O)NCCO)nc3)ccnc2[nH]1.
What is the InChIKey of 5-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxyethyl)pyridine-2-sulfonamide?
The InChIKey is RNIBRVIXGMUETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-18(2,3)15-10-14-13(6-7-19-17(14)22-15)12-4-5-16(20-11-12)26(24,25)21-8-9-23/h4-7,10-11,21,23H,8-9H2,1-3H3,(H,19,22).
What are the key properties of 5-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxyethyl)pyridine-2-sulfonamide?
5-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxyethyl)pyridine-2-sulfonamide has a molecular weight of 374.47 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxyethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 59406223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).