5-[2-[(2-iodobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride

C13H11ClINO3S2 — CID 43095043

IUPAC5-[2-[(2-iodobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCCc1ccc(S(=O)(=O)Cl)s1)c1ccccc1I
InChIInChI=1S/C13H11ClINO3S2/c14-21(18,19)12-6-5-9(20-12)7-8-16-13(17)10-3-1-2-4-11(10)15/h1-6H,7-8H2,(H,16,17)
InChIKeyJVKZWTCCVQPRHK-UHFFFAOYSA-N
MW455.73 g/mol
LogP3.25
Rot. Bonds5

About 5-[2-[(2-iodobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride

5-[2-[(2-iodobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride (PubChem CID 43095043) has the molecular formula C13H11ClINO3S2 and a molecular weight of 455.73 g/mol. Its IUPAC name is 5-[2-[(2-iodobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[2-[(2-iodobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride
PubChem CID43095043
Molecular FormulaC13H11ClINO3S2
Molecular Weight455.73 g/mol
Exact Mass454.89
IUPAC Name5-[2-[(2-iodobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCCc1ccc(S(=O)(=O)Cl)s1)c1ccccc1I
InChIInChI=1S/C13H11ClINO3S2/c14-21(18,19)12-6-5-9(20-12)7-8-16-13(17)10-3-1-2-4-11(10)15/h1-6H,7-8H2,(H,16,17)
InChIKeyJVKZWTCCVQPRHK-UHFFFAOYSA-N
XLogP3.25
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.73
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[(2-bromobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride
CID 43110433
5-[2-(1H-pyrazole-5-carbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 63086454
5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 24689033
5-[2-(2-ethylhexanoylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43125512
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 43246441
5-[2-(cyclohexanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43098333
N-[2-(benzylsulfamoyl)ethyl]-2-iodobenzamide
CID 55795602
N-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide
CID 47059383
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
4-iodo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 43246453
4-[(2-iodobenzoyl)amino]butanoic acid
CID 16775783
2-iodo-N-(2-pyridin-4-ylethyl)benzamide
CID 61400553

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-iodobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[2-[(2-iodobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride (CID 43095043) is 5-[2-[(2-iodobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[2-[(2-iodobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[2-[(2-iodobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride is O=C(NCCc1ccc(S(=O)(=O)Cl)s1)c1ccccc1I.
What is the InChIKey of 5-[2-[(2-iodobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride?
The InChIKey is JVKZWTCCVQPRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClINO3S2/c14-21(18,19)12-6-5-9(20-12)7-8-16-13(17)10-3-1-2-4-11(10)15/h1-6H,7-8H2,(H,16,17).
What are the key properties of 5-[2-[(2-iodobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride?
5-[2-[(2-iodobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride has a molecular weight of 455.73 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-iodobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 43095043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).