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

C15H16N4O2S — CID 23648890

IUPACN-(2-aminoethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
SMILESNCCNS(=O)(=O)c1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C15H16N4O2S/c16-7-10-19-22(20,21)12-3-1-11(2-4-12)13-5-8-17-15-14(13)6-9-18-15/h1-6,8-9,19H,7,10,16H2,(H,17,18)
InChIKeyHNQXYQNMPSACKT-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.47
Rot. Bonds5

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

N-(2-aminoethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide (PubChem CID 23648890) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
PubChem CID23648890
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-(2-aminoethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
SMILESNCCNS(=O)(=O)c1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C15H16N4O2S/c16-7-10-19-22(20,21)12-3-1-11(2-4-12)13-5-8-17-15-14(13)6-9-18-15/h1-6,8-9,19H,7,10,16H2,(H,17,18)
InChIKeyHNQXYQNMPSACKT-UHFFFAOYSA-N
XLogP1.47
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide (CID 23648890) is N-(2-aminoethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide is NCCNS(=O)(=O)c1ccc(-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
The InChIKey is HNQXYQNMPSACKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c16-7-10-19-22(20,21)12-3-1-11(2-4-12)13-5-8-17-15-14(13)6-9-18-15/h1-6,8-9,19H,7,10,16H2,(H,17,18).
What are the key properties of N-(2-aminoethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
N-(2-aminoethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide has a molecular weight of 316.39 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide is sourced from PubChem (CID 23648890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).