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

C12H13IN2O2S2 — CID 106029311

IUPACN-(3-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2cccc(I)c2)s1
InChIInChI=1S/C12H13IN2O2S2/c1-14-8-11-5-6-12(18-11)19(16,17)15-10-4-2-3-9(13)7-10/h2-7,14-15H,8H2,1H3
InChIKeyGLFYUELBMHGXHV-UHFFFAOYSA-N
MW408.29 g/mol
LogP2.87
Rot. Bonds5

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

N-(3-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106029311) has the molecular formula C12H13IN2O2S2 and a molecular weight of 408.29 g/mol. Its IUPAC name is N-(3-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID106029311
Molecular FormulaC12H13IN2O2S2
Molecular Weight408.29 g/mol
Exact Mass407.95
IUPAC NameN-(3-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2cccc(I)c2)s1
InChIInChI=1S/C12H13IN2O2S2/c1-14-8-11-5-6-12(18-11)19(16,17)15-10-4-2-3-9(13)7-10/h2-7,14-15H,8H2,1H3
InChIKeyGLFYUELBMHGXHV-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

N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106090194
N-(4-chloro-2-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087386
2-fluoro-N-(3-iodophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106029453
5-(methylaminomethyl)-N-(2,4,6-trichlorophenyl)thiophene-2-sulfonamide
CID 106002671
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide
CID 47309123
N-(3-bromo-5-methoxyphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106076709
4-fluoro-N-(3-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106029424
N-(3-iodophenyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 106029547
N-[3-(1,3-dithiolan-2-yl)phenyl]-5-ethylthiophene-2-sulfonamide
CID 71890365
1-ethyl-N-(3-iodophenyl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106029526
N-(4-bromo-2-ethylphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106073390

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide (CID 106029311) is N-(3-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide is CNCc1ccc(S(=O)(=O)Nc2cccc(I)c2)s1.
What is the InChIKey of N-(3-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is GLFYUELBMHGXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2O2S2/c1-14-8-11-5-6-12(18-11)19(16,17)15-10-4-2-3-9(13)7-10/h2-7,14-15H,8H2,1H3.
What are the key properties of N-(3-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide?
N-(3-iodophenyl)-5-(methylaminomethyl)thiophene-2-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-(3-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106029311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).