1-(benzenesulfonyl)-6-(1-methylcyclopropyl)oxypyrrolo[3,2-b]pyridine

C17H16N2O3S — CID 172581890

IUPAC1-(benzenesulfonyl)-6-(1-methylcyclopropyl)oxypyrrolo[3,2-b]pyridine
SMILESCC1(Oc2cnc3ccn(S(=O)(=O)c4ccccc4)c3c2)CC1
InChIInChI=1S/C17H16N2O3S/c1-17(8-9-17)22-13-11-16-15(18-12-13)7-10-19(16)23(20,21)14-5-3-2-4-6-14/h2-7,10-12H,8-9H2,1H3
InChIKeyMSCWGSUDKVSHQO-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.20
Rot. Bonds4

About 1-(benzenesulfonyl)-6-(1-methylcyclopropyl)oxypyrrolo[3,2-b]pyridine

1-(benzenesulfonyl)-6-(1-methylcyclopropyl)oxypyrrolo[3,2-b]pyridine (PubChem CID 172581890) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-6-(1-methylcyclopropyl)oxypyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-6-(1-methylcyclopropyl)oxypyrrolo[3,2-b]pyridine
PubChem CID172581890
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name1-(benzenesulfonyl)-6-(1-methylcyclopropyl)oxypyrrolo[3,2-b]pyridine
SMILESCC1(Oc2cnc3ccn(S(=O)(=O)c4ccccc4)c3c2)CC1
InChIInChI=1S/C17H16N2O3S/c1-17(8-9-17)22-13-11-16-15(18-12-13)7-10-19(16)23(20,21)14-5-3-2-4-6-14/h2-7,10-12H,8-9H2,1H3
InChIKeyMSCWGSUDKVSHQO-UHFFFAOYSA-N
XLogP3.20
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(benzenesulfonyl)pyrrolo[3,2-b]pyridine-5-carboxylate
CID 74890518
1-(benzenesulfonyl)pyrrolo[3,2-c]isoquinoline
CID 15474221
10-(benzenesulfonyl)-3-(4-methylpiperidin-4-yl)-3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 67343253
1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridine
CID 18176436
1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine
CID 150655261
1-(benzenesulfonyl)-6-methoxy-4-(pyrrolidin-1-ylmethyl)indole
CID 24775196
1-(benzenesulfonyl)-6-fluoro-2-iodopyrrolo[3,2-b]pyridine
CID 123134965
6-bromo-1-methylsulfonylpyrrolo[3,2-b]pyridine
CID 118249224
1-(benzenesulfonyl)-4-methoxyindole;pyrrolidine
CID 142181785
1-(benzenesulfonyl)-N,N-dimethylindol-5-amine
CID 162661549
1-(benzenesulfonyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylindole
CID 124563441
methyl 1-(benzenesulfonyl)indole-6-carboxylate
CID 54598082

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-6-(1-methylcyclopropyl)oxypyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-6-(1-methylcyclopropyl)oxypyrrolo[3,2-b]pyridine (CID 172581890) is 1-(benzenesulfonyl)-6-(1-methylcyclopropyl)oxypyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-6-(1-methylcyclopropyl)oxypyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-6-(1-methylcyclopropyl)oxypyrrolo[3,2-b]pyridine is CC1(Oc2cnc3ccn(S(=O)(=O)c4ccccc4)c3c2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-6-(1-methylcyclopropyl)oxypyrrolo[3,2-b]pyridine?
The InChIKey is MSCWGSUDKVSHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-17(8-9-17)22-13-11-16-15(18-12-13)7-10-19(16)23(20,21)14-5-3-2-4-6-14/h2-7,10-12H,8-9H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-6-(1-methylcyclopropyl)oxypyrrolo[3,2-b]pyridine?
1-(benzenesulfonyl)-6-(1-methylcyclopropyl)oxypyrrolo[3,2-b]pyridine has a molecular weight of 328.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-6-(1-methylcyclopropyl)oxypyrrolo[3,2-b]pyridine is sourced from PubChem (CID 172581890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).