N-[2-(furan-2-yl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]methanesulfonamide

C17H17N3O5S — CID 3690765

IUPACN-[2-(furan-2-yl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN2C(=O)c3cc(-c4ccco4)ccc3NC(=O)C12
InChIInChI=1S/C17H17N3O5S/c1-26(23,24)19-13-6-7-20-15(13)16(21)18-12-5-4-10(9-11(12)17(20)22)14-3-2-8-25-14/h2-5,8-9,13,15,19H,6-7H2,1H3,(H,18,21)
InChIKeySNRYPLYIGDBROF-UHFFFAOYSA-N
MW375.41 g/mol
LogP1.03
Rot. Bonds3

About N-[2-(furan-2-yl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]methanesulfonamide

N-[2-(furan-2-yl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]methanesulfonamide (PubChem CID 3690765) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]methanesulfonamide
PubChem CID3690765
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC NameN-[2-(furan-2-yl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN2C(=O)c3cc(-c4ccco4)ccc3NC(=O)C12
InChIInChI=1S/C17H17N3O5S/c1-26(23,24)19-13-6-7-20-15(13)16(21)18-12-5-4-10(9-11(12)17(20)22)14-3-2-8-25-14/h2-5,8-9,13,15,19H,6-7H2,1H3,(H,18,21)
InChIKeySNRYPLYIGDBROF-UHFFFAOYSA-N
XLogP1.03
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(furan-2-yl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]methanesulfonamide?
The IUPAC name of N-[2-(furan-2-yl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]methanesulfonamide (CID 3690765) is N-[2-(furan-2-yl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]methanesulfonamide.
What is the SMILES notation for N-[2-(furan-2-yl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]methanesulfonamide?
The canonical SMILES for N-[2-(furan-2-yl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]methanesulfonamide is CS(=O)(=O)NC1CCN2C(=O)c3cc(-c4ccco4)ccc3NC(=O)C12.
What is the InChIKey of N-[2-(furan-2-yl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]methanesulfonamide?
The InChIKey is SNRYPLYIGDBROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-26(23,24)19-13-6-7-20-15(13)16(21)18-12-5-4-10(9-11(12)17(20)22)14-3-2-8-25-14/h2-5,8-9,13,15,19H,6-7H2,1H3,(H,18,21).
What are the key properties of N-[2-(furan-2-yl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]methanesulfonamide?
N-[2-(furan-2-yl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]methanesulfonamide has a molecular weight of 375.41 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]methanesulfonamide is sourced from PubChem (CID 3690765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).