5-(ethylaminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide

C13H15IN2O2S2 — CID 106030281

IUPAC5-(ethylaminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2ccccc2I)cs1
InChIInChI=1S/C13H15IN2O2S2/c1-2-15-8-10-7-11(9-19-10)20(17,18)16-13-6-4-3-5-12(13)14/h3-7,9,15-16H,2,8H2,1H3
InChIKeyNIOQRTYFNAGMDJ-UHFFFAOYSA-N
MW422.31 g/mol
LogP3.26
Rot. Bonds6

About 5-(ethylaminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide

5-(ethylaminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide (PubChem CID 106030281) has the molecular formula C13H15IN2O2S2 and a molecular weight of 422.31 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide
PubChem CID106030281
Molecular FormulaC13H15IN2O2S2
Molecular Weight422.31 g/mol
Exact Mass421.96
IUPAC Name5-(ethylaminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2ccccc2I)cs1
InChIInChI=1S/C13H15IN2O2S2/c1-2-15-8-10-7-11(9-19-10)20(17,18)16-13-6-4-3-5-12(13)14/h3-7,9,15-16H,2,8H2,1H3
InChIKeyNIOQRTYFNAGMDJ-UHFFFAOYSA-N
XLogP3.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 53.26
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

5-(aminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide
CID 106030161
N-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 107531552
5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide
CID 106081830
N-(2-iodophenyl)benzenesulfonamide
CID 632219
5-(ethylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide
CID 106018941
N-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106029596
5-(aminomethyl)-N-(2-bromophenyl)thiophene-3-sulfonamide
CID 106061159
5-(ethylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090699
5-(ethylaminomethyl)-N-(2-ethylcyclohexyl)thiophene-3-sulfonamide
CID 106002911
N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 47104358
N-(3-bromo-4-pyridinyl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106075951
5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 106063032

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide (CID 106030281) is 5-(ethylaminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide is CCNCc1cc(S(=O)(=O)Nc2ccccc2I)cs1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide?
The InChIKey is NIOQRTYFNAGMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN2O2S2/c1-2-15-8-10-7-11(9-19-10)20(17,18)16-13-6-4-3-5-12(13)14/h3-7,9,15-16H,2,8H2,1H3.
What are the key properties of 5-(ethylaminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide?
5-(ethylaminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide has a molecular weight of 422.31 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106030281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).