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

C14H12N2O3S2 — CID 121272820

IUPACN-[(3Z)-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)/C(=C/c1cccs1)C(=O)N2
InChIInChI=1S/C14H12N2O3S2/c1-21(18,19)16-9-4-5-13-11(7-9)12(14(17)15-13)8-10-3-2-6-20-10/h2-8,16H,1H3,(H,15,17)/b12-8-
InChIKeyMMNRMYDQOIPVRR-WQLSENKSSA-N
MW320.40 g/mol
LogP2.61
Rot. Bonds3

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

N-[(3Z)-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide (PubChem CID 121272820) has the molecular formula C14H12N2O3S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[(3Z)-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3Z)-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide
PubChem CID121272820
Molecular FormulaC14H12N2O3S2
Molecular Weight320.40 g/mol
Exact Mass320.03
IUPAC NameN-[(3Z)-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)/C(=C/c1cccs1)C(=O)N2
InChIInChI=1S/C14H12N2O3S2/c1-21(18,19)16-9-4-5-13-11(7-9)12(14(17)15-13)8-10-3-2-6-20-10/h2-8,16H,1H3,(H,15,17)/b12-8-
InChIKeyMMNRMYDQOIPVRR-WQLSENKSSA-N
XLogP2.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
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)-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide?
The IUPAC name of N-[(3Z)-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide (CID 121272820) is N-[(3Z)-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide.
What is the SMILES notation for N-[(3Z)-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide?
The canonical SMILES for N-[(3Z)-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc2c(c1)/C(=C/c1cccs1)C(=O)N2.
What is the InChIKey of N-[(3Z)-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide?
The InChIKey is MMNRMYDQOIPVRR-WQLSENKSSA-N. The full InChI is InChI=1S/C14H12N2O3S2/c1-21(18,19)16-9-4-5-13-11(7-9)12(14(17)15-13)8-10-3-2-6-20-10/h2-8,16H,1H3,(H,15,17)/b12-8-.
What are the key properties of N-[(3Z)-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide?
N-[(3Z)-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide has a molecular weight of 320.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indol-5-yl]methanesulfonamide is sourced from PubChem (CID 121272820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).