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

C13H12N4O3S — CID 121276974

IUPACN-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2
InChIInChI=1S/C13H12N4O3S/c1-21(19,20)17-8-2-3-12-10(4-8)11(13(18)16-12)5-9-6-14-7-15-9/h2-7,17H,1H3,(H,14,15)(H,16,18)/b11-5-
InChIKeyWQFNQYYZHLYCLA-WZUFQYTHSA-N
MW304.33 g/mol
LogP1.27
Rot. Bonds3

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

N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]methanesulfonamide (PubChem CID 121276974) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]methanesulfonamide
PubChem CID121276974
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC NameN-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2
InChIInChI=1S/C13H12N4O3S/c1-21(19,20)17-8-2-3-12-10(4-8)11(13(18)16-12)5-9-6-14-7-15-9/h2-7,17H,1H3,(H,14,15)(H,16,18)/b11-5-
InChIKeyWQFNQYYZHLYCLA-WZUFQYTHSA-N
XLogP1.27
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]methanesulfonamide?
The IUPAC name of N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]methanesulfonamide (CID 121276974) is N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]methanesulfonamide.
What is the SMILES notation for N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]methanesulfonamide?
The canonical SMILES for N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2.
What is the InChIKey of N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]methanesulfonamide?
The InChIKey is WQFNQYYZHLYCLA-WZUFQYTHSA-N. The full InChI is InChI=1S/C13H12N4O3S/c1-21(19,20)17-8-2-3-12-10(4-8)11(13(18)16-12)5-9-6-14-7-15-9/h2-7,17H,1H3,(H,14,15)(H,16,18)/b11-5-.
What are the key properties of N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]methanesulfonamide?
N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]methanesulfonamide has a molecular weight of 304.33 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]methanesulfonamide is sourced from PubChem (CID 121276974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).