N-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide

C12H13IN2O2S2 — CID 106029596

IUPACN-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2ccc(I)cc2)cs1
InChIInChI=1S/C12H13IN2O2S2/c1-14-7-11-6-12(8-18-11)19(16,17)15-10-4-2-9(13)3-5-10/h2-6,8,14-15H,7H2,1H3
InChIKeyFGDJHBPLLBYTLW-UHFFFAOYSA-N
MW408.29 g/mol
LogP2.87
Rot. Bonds5

About N-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide

N-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106029596) has the molecular formula C12H13IN2O2S2 and a molecular weight of 408.29 g/mol. Its IUPAC name is N-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106029596
Molecular FormulaC12H13IN2O2S2
Molecular Weight408.29 g/mol
Exact Mass407.95
IUPAC NameN-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2ccc(I)cc2)cs1
InChIInChI=1S/C12H13IN2O2S2/c1-14-7-11-6-12(8-18-11)19(16,17)15-10-4-2-9(13)3-5-10/h2-6,8,14-15H,7H2,1H3
InChIKeyFGDJHBPLLBYTLW-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 52.87
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-[(cyclopropylamino)methyl]-N-(4-iodophenyl)thiophene-3-sulfonamide
CID 106029625
N-(3-bromo-4-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106070895
5-(methylaminomethyl)-N-(2,4,6-trifluorophenyl)thiophene-3-sulfonamide
CID 106069519
N-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 107531552
N-(4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106029553
N-(4-bromo-2-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106030519
5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide
CID 106056250
5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide
CID 106081746
N-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106059695
N-(3-bromo-4-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106075947
N-(3-chloro-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106086556
5-(aminomethyl)-N-(4-methylsulfanylphenyl)thiophene-3-sulfonamide
CID 106057752

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide (CID 106029596) is N-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)Nc2ccc(I)cc2)cs1.
What is the InChIKey of N-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is FGDJHBPLLBYTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2O2S2/c1-14-7-11-6-12(8-18-11)19(16,17)15-10-4-2-9(13)3-5-10/h2-6,8,14-15H,7H2,1H3.
What are the key properties of N-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
N-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 408.29 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106029596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).