N-(3-chloro-1H-indol-7-yl)-6-(2-hydroxyethylamino)pyridine-3-sulfonamide

C15H15ClN4O3S — CID 22228556

IUPACN-(3-chloro-1H-indol-7-yl)-6-(2-hydroxyethylamino)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cccc2c(Cl)c[nH]c12)c1ccc(NCCO)nc1
InChIInChI=1S/C15H15ClN4O3S/c16-12-9-19-15-11(12)2-1-3-13(15)20-24(22,23)10-4-5-14(18-8-10)17-6-7-21/h1-5,8-9,19-21H,6-7H2,(H,17,18)
InChIKeyZLAZZJXAYPXLOS-UHFFFAOYSA-N
MW366.83 g/mol
LogP2.42
Rot. Bonds6

About N-(3-chloro-1H-indol-7-yl)-6-(2-hydroxyethylamino)pyridine-3-sulfonamide

N-(3-chloro-1H-indol-7-yl)-6-(2-hydroxyethylamino)pyridine-3-sulfonamide (PubChem CID 22228556) has the molecular formula C15H15ClN4O3S and a molecular weight of 366.83 g/mol. Its IUPAC name is N-(3-chloro-1H-indol-7-yl)-6-(2-hydroxyethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-1H-indol-7-yl)-6-(2-hydroxyethylamino)pyridine-3-sulfonamide
PubChem CID22228556
Molecular FormulaC15H15ClN4O3S
Molecular Weight366.83 g/mol
Exact Mass366.06
IUPAC NameN-(3-chloro-1H-indol-7-yl)-6-(2-hydroxyethylamino)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cccc2c(Cl)c[nH]c12)c1ccc(NCCO)nc1
InChIInChI=1S/C15H15ClN4O3S/c16-12-9-19-15-11(12)2-1-3-13(15)20-24(22,23)10-4-5-14(18-8-10)17-6-7-21/h1-5,8-9,19-21H,6-7H2,(H,17,18)
InChIKeyZLAZZJXAYPXLOS-UHFFFAOYSA-N
XLogP2.42
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1H-indol-7-yl)-6-(2-hydroxyethylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(3-chloro-1H-indol-7-yl)-6-(2-hydroxyethylamino)pyridine-3-sulfonamide (CID 22228556) is N-(3-chloro-1H-indol-7-yl)-6-(2-hydroxyethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-chloro-1H-indol-7-yl)-6-(2-hydroxyethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(3-chloro-1H-indol-7-yl)-6-(2-hydroxyethylamino)pyridine-3-sulfonamide is O=S(=O)(Nc1cccc2c(Cl)c[nH]c12)c1ccc(NCCO)nc1.
What is the InChIKey of N-(3-chloro-1H-indol-7-yl)-6-(2-hydroxyethylamino)pyridine-3-sulfonamide?
The InChIKey is ZLAZZJXAYPXLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O3S/c16-12-9-19-15-11(12)2-1-3-13(15)20-24(22,23)10-4-5-14(18-8-10)17-6-7-21/h1-5,8-9,19-21H,6-7H2,(H,17,18).
What are the key properties of N-(3-chloro-1H-indol-7-yl)-6-(2-hydroxyethylamino)pyridine-3-sulfonamide?
N-(3-chloro-1H-indol-7-yl)-6-(2-hydroxyethylamino)pyridine-3-sulfonamide has a molecular weight of 366.83 g/mol, XLogP of 2.42, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1H-indol-7-yl)-6-(2-hydroxyethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 22228556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).