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

C19H21N3O3S — CID 59744353

IUPAC4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
SMILESC[C@@H](CO)NS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C4CC4)cc23)cc1
InChIInChI=1S/C19H21N3O3S/c1-12(11-23)22-26(24,25)15-6-4-13(5-7-15)16-8-9-20-19-17(16)10-18(21-19)14-2-3-14/h4-10,12,14,22-23H,2-3,11H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyZEVAYPOLTQWGHH-LBPRGKRZSA-N
MW371.46 g/mol
LogP2.77
Rot. Bonds6

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

4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide (PubChem CID 59744353) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
PubChem CID59744353
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
SMILESC[C@@H](CO)NS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C4CC4)cc23)cc1
InChIInChI=1S/C19H21N3O3S/c1-12(11-23)22-26(24,25)15-6-4-13(5-7-15)16-8-9-20-19-17(16)10-18(21-19)14-2-3-14/h4-10,12,14,22-23H,2-3,11H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyZEVAYPOLTQWGHH-LBPRGKRZSA-N
XLogP2.77
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide (CID 59744353) is 4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide is C[C@@H](CO)NS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C4CC4)cc23)cc1.
What is the InChIKey of 4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide?
The InChIKey is ZEVAYPOLTQWGHH-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-12(11-23)22-26(24,25)15-6-4-13(5-7-15)16-8-9-20-19-17(16)10-18(21-19)14-2-3-14/h4-10,12,14,22-23H,2-3,11H2,1H3,(H,20,21)/t12-/m0/s1.
What are the key properties of 4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide?
4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 59744353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).