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

C17H17N3O3S — CID 23649025

IUPACN-[(3S)-oxolan-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCOC1)c1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C17H17N3O3S/c21-24(22,20-13-7-10-23-11-13)14-3-1-12(2-4-14)15-5-8-18-17-16(15)6-9-19-17/h1-6,8-9,13,20H,7,10-11H2,(H,18,19)/t13-/m0/s1
InChIKeyOOLKBEHLOXRTOK-ZDUSSCGKSA-N
MW343.41 g/mol
LogP2.30
Rot. Bonds4

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

N-[(3S)-oxolan-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide (PubChem CID 23649025) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[(3S)-oxolan-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-oxolan-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
PubChem CID23649025
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[(3S)-oxolan-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCOC1)c1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C17H17N3O3S/c21-24(22,20-13-7-10-23-11-13)14-3-1-12(2-4-14)15-5-8-18-17-16(15)6-9-19-17/h1-6,8-9,13,20H,7,10-11H2,(H,18,19)/t13-/m0/s1
InChIKeyOOLKBEHLOXRTOK-ZDUSSCGKSA-N
XLogP2.30
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide
CID 59744373
N-[2-(methylamino)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
CID 44591531
N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]benzenesulfonamide
CID 172686672
N-(3-hydroxycyclopentyl)-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
CID 59744380
4-ethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868831
4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57482994
N-cyclohexyl-4-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 97154955
4-[2-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]sulfonylamino]ethyl]benzenesulfonamide
CID 23648917
N-(4-hydroxycyclohexyl)-4-[2-(triazol-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide
CID 59744522
4-acetyl-N-(oxolan-3-yl)benzenesulfonamide
CID 80712927
N-[3-[2-(dimethylamino)ethoxy]propyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
CID 23648916
N-(1,1-dihydroxythiolan-3-yl)-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
CID 24984773

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-oxolan-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
The IUPAC name of N-[(3S)-oxolan-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide (CID 23649025) is N-[(3S)-oxolan-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide.
What is the SMILES notation for N-[(3S)-oxolan-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
The canonical SMILES for N-[(3S)-oxolan-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide is O=S(=O)(N[C@H]1CCOC1)c1ccc(-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of N-[(3S)-oxolan-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
The InChIKey is OOLKBEHLOXRTOK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17N3O3S/c21-24(22,20-13-7-10-23-11-13)14-3-1-12(2-4-14)15-5-8-18-17-16(15)6-9-19-17/h1-6,8-9,13,20H,7,10-11H2,(H,18,19)/t13-/m0/s1.
What are the key properties of N-[(3S)-oxolan-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
N-[(3S)-oxolan-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-oxolan-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide is sourced from PubChem (CID 23649025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).