2-[1-(3-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-3-yl]ethyl carbamate

C17H17N3O5S — CID 69182901

IUPAC2-[1-(3-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-3-yl]ethyl carbamate
SMILESCOc1cccc(S(=O)(=O)n2cc(CCOC(N)=O)c3ccncc32)c1
InChIInChI=1S/C17H17N3O5S/c1-24-13-3-2-4-14(9-13)26(22,23)20-11-12(6-8-25-17(18)21)15-5-7-19-10-16(15)20/h2-5,7,9-11H,6,8H2,1H3,(H2,18,21)
InChIKeyZJADFFAOPUWEIE-UHFFFAOYSA-N
MW375.41 g/mol
LogP1.92
Rot. Bonds6

About 2-[1-(3-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-3-yl]ethyl carbamate

2-[1-(3-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-3-yl]ethyl carbamate (PubChem CID 69182901) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-3-yl]ethyl carbamate.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-3-yl]ethyl carbamate
PubChem CID69182901
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC Name2-[1-(3-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-3-yl]ethyl carbamate
SMILESCOc1cccc(S(=O)(=O)n2cc(CCOC(N)=O)c3ccncc32)c1
InChIInChI=1S/C17H17N3O5S/c1-24-13-3-2-4-14(9-13)26(22,23)20-11-12(6-8-25-17(18)21)15-5-7-19-10-16(15)20/h2-5,7,9-11H,6,8H2,1H3,(H2,18,21)
InChIKeyZJADFFAOPUWEIE-UHFFFAOYSA-N
XLogP1.92
TPSA113.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-3-yl]ethyl carbamate?
The IUPAC name of 2-[1-(3-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-3-yl]ethyl carbamate (CID 69182901) is 2-[1-(3-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-3-yl]ethyl carbamate.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-3-yl]ethyl carbamate?
The canonical SMILES for 2-[1-(3-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-3-yl]ethyl carbamate is COc1cccc(S(=O)(=O)n2cc(CCOC(N)=O)c3ccncc32)c1.
What is the InChIKey of 2-[1-(3-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-3-yl]ethyl carbamate?
The InChIKey is ZJADFFAOPUWEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-24-13-3-2-4-14(9-13)26(22,23)20-11-12(6-8-25-17(18)21)15-5-7-19-10-16(15)20/h2-5,7,9-11H,6,8H2,1H3,(H2,18,21).
What are the key properties of 2-[1-(3-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-3-yl]ethyl carbamate?
2-[1-(3-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-3-yl]ethyl carbamate has a molecular weight of 375.41 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-3-yl]ethyl carbamate is sourced from PubChem (CID 69182901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).