N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide

C14H13N3O3S — CID 23647622

IUPACN-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2
InChIInChI=1S/C14H13N3O3S/c1-21(19,20)17-10-4-5-13-11(8-10)12(14(18)16-13)7-9-3-2-6-15-9/h2-8,15,17H,1H3,(H,16,18)/b12-7-
InChIKeyZMOGYOAFHPRYMK-GHXNOFRVSA-N
MW303.34 g/mol
LogP1.88
Rot. Bonds3

About N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide

N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide (PubChem CID 23647622) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide
PubChem CID23647622
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC NameN-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2
InChIInChI=1S/C14H13N3O3S/c1-21(19,20)17-10-4-5-13-11(8-10)12(14(18)16-13)7-9-3-2-6-15-9/h2-8,15,17H,1H3,(H,16,18)/b12-7-
InChIKeyZMOGYOAFHPRYMK-GHXNOFRVSA-N
XLogP1.88
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-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-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide?
The IUPAC name of N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide (CID 23647622) is N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide.
What is the SMILES notation for N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide?
The canonical SMILES for N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2.
What is the InChIKey of N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide?
The InChIKey is ZMOGYOAFHPRYMK-GHXNOFRVSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-21(19,20)17-10-4-5-13-11(8-10)12(14(18)16-13)7-9-3-2-6-15-9/h2-8,15,17H,1H3,(H,16,18)/b12-7-.
What are the key properties of N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide?
N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide has a molecular weight of 303.34 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide is sourced from PubChem (CID 23647622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).