N-(3-acetyl-1,2-dihydroxyindol-6-yl)thiophene-2-sulfonamide

C14H12N2O5S2 — CID 10959108

IUPACN-(3-acetyl-1,2-dihydroxyindol-6-yl)thiophene-2-sulfonamide
SMILESCC(=O)c1c(O)n(O)c2cc(NS(=O)(=O)c3cccs3)ccc12
InChIInChI=1S/C14H12N2O5S2/c1-8(17)13-10-5-4-9(7-11(10)16(19)14(13)18)15-23(20,21)12-3-2-6-22-12/h2-7,15,18-19H,1H3
InChIKeyJUAHSUOCCATFEQ-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.65
Rot. Bonds4

About N-(3-acetyl-1,2-dihydroxyindol-6-yl)thiophene-2-sulfonamide

N-(3-acetyl-1,2-dihydroxyindol-6-yl)thiophene-2-sulfonamide (PubChem CID 10959108) has the molecular formula C14H12N2O5S2 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(3-acetyl-1,2-dihydroxyindol-6-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-acetyl-1,2-dihydroxyindol-6-yl)thiophene-2-sulfonamide
PubChem CID10959108
Molecular FormulaC14H12N2O5S2
Molecular Weight352.39 g/mol
Exact Mass352.02
IUPAC NameN-(3-acetyl-1,2-dihydroxyindol-6-yl)thiophene-2-sulfonamide
SMILESCC(=O)c1c(O)n(O)c2cc(NS(=O)(=O)c3cccs3)ccc12
InChIInChI=1S/C14H12N2O5S2/c1-8(17)13-10-5-4-9(7-11(10)16(19)14(13)18)15-23(20,21)12-3-2-6-22-12/h2-7,15,18-19H,1H3
InChIKeyJUAHSUOCCATFEQ-UHFFFAOYSA-N
XLogP2.65
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335
N-(1-methylindol-5-yl)thiophene-2-sulfonamide
CID 110867814
2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate
CID 54711268
2-hydroxy-N-(1-methyl-2-oxoquinolin-7-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 167928414
N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]thiophene-2-sulfonamide
CID 67101302
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-2-sulfonamide
CID 24703518
2-[4-(4-acetylphenyl)piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)benzoic acid
CID 46291585
N-[3-hydroxy-4-(3-methylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
CID 78847493
N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 43416696
N-(3-bromo-5-methylphenyl)thiophene-2-sulfonamide
CID 110604781
2-hydroxy-N-pentan-3-yl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78867915

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-1,2-dihydroxyindol-6-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-acetyl-1,2-dihydroxyindol-6-yl)thiophene-2-sulfonamide (CID 10959108) is N-(3-acetyl-1,2-dihydroxyindol-6-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-acetyl-1,2-dihydroxyindol-6-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-acetyl-1,2-dihydroxyindol-6-yl)thiophene-2-sulfonamide is CC(=O)c1c(O)n(O)c2cc(NS(=O)(=O)c3cccs3)ccc12.
What is the InChIKey of N-(3-acetyl-1,2-dihydroxyindol-6-yl)thiophene-2-sulfonamide?
The InChIKey is JUAHSUOCCATFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5S2/c1-8(17)13-10-5-4-9(7-11(10)16(19)14(13)18)15-23(20,21)12-3-2-6-22-12/h2-7,15,18-19H,1H3.
What are the key properties of N-(3-acetyl-1,2-dihydroxyindol-6-yl)thiophene-2-sulfonamide?
N-(3-acetyl-1,2-dihydroxyindol-6-yl)thiophene-2-sulfonamide has a molecular weight of 352.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-1,2-dihydroxyindol-6-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 10959108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).