4-iodo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide

C13H13IN2O3S2 — CID 43246453

IUPAC4-iodo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(I)cc2)s1
InChIInChI=1S/C13H13IN2O3S2/c14-10-3-1-9(2-4-10)13(17)16-8-7-11-5-6-12(20-11)21(15,18)19/h1-6H,7-8H2,(H,16,17)(H2,15,18,19)
InChIKeyZGQSSWBSFSOAMU-UHFFFAOYSA-N
MW436.30 g/mol
LogP1.97
Rot. Bonds5

About 4-iodo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide

4-iodo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide (PubChem CID 43246453) has the molecular formula C13H13IN2O3S2 and a molecular weight of 436.30 g/mol. Its IUPAC name is 4-iodo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
PubChem CID43246453
Molecular FormulaC13H13IN2O3S2
Molecular Weight436.30 g/mol
Exact Mass435.94
IUPAC Name4-iodo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(I)cc2)s1
InChIInChI=1S/C13H13IN2O3S2/c14-10-3-1-9(2-4-10)13(17)16-8-7-11-5-6-12(20-11)21(15,18)19/h1-6H,7-8H2,(H,16,17)(H2,15,18,19)
InChIKeyZGQSSWBSFSOAMU-UHFFFAOYSA-N
XLogP1.97
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 61128277
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 43246441
5-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]furan-3-carboxamide
CID 114822706
3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 47286704
2,4-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 79884277
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide
CID 43133898
3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-2-carboxamide
CID 107519551
1,5-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrole-2-carboxamide
CID 60976637
2-oxo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]-1,3-dihydroimidazole-4-carboxamide
CID 61129579
3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]but-2-enamide
CID 61128280
2-acetamido-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
CID 61128464
N-(2-hydroxyethyl)-4-[[2-(5-sulfamoylthiophen-2-yl)acetyl]amino]benzamide
CID 154845795

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide?
The IUPAC name of 4-iodo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide (CID 43246453) is 4-iodo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-iodo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 4-iodo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide is NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(I)cc2)s1.
What is the InChIKey of 4-iodo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide?
The InChIKey is ZGQSSWBSFSOAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O3S2/c14-10-3-1-9(2-4-10)13(17)16-8-7-11-5-6-12(20-11)21(15,18)19/h1-6H,7-8H2,(H,16,17)(H2,15,18,19).
What are the key properties of 4-iodo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide?
4-iodo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide has a molecular weight of 436.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 43246453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).