N-(4-chloro-2-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide

C12H12ClIN2O2S2 — CID 106087386

IUPACN-(4-chloro-2-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2I)s1
InChIInChI=1S/C12H12ClIN2O2S2/c1-15-7-9-3-5-12(19-9)20(17,18)16-11-4-2-8(13)6-10(11)14/h2-6,15-16H,7H2,1H3
InChIKeyWNOJKUHTOONQDG-UHFFFAOYSA-N
MW442.73 g/mol
LogP3.53
Rot. Bonds5

About N-(4-chloro-2-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide

N-(4-chloro-2-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106087386) has the molecular formula C12H12ClIN2O2S2 and a molecular weight of 442.73 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID106087386
Molecular FormulaC12H12ClIN2O2S2
Molecular Weight442.73 g/mol
Exact Mass441.91
IUPAC NameN-(4-chloro-2-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2I)s1
InChIInChI=1S/C12H12ClIN2O2S2/c1-15-7-9-3-5-12(19-9)20(17,18)16-11-4-2-8(13)6-10(11)14/h2-6,15-16H,7H2,1H3
InChIKeyWNOJKUHTOONQDG-UHFFFAOYSA-N
XLogP3.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.73
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-chloro-2-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(methylaminomethyl)-N-(2,4,6-trichlorophenyl)thiophene-2-sulfonamide
CID 106002671
N-(4-bromo-2-ethylphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106073390
N-(2,6-dimethyl-3-pyridinyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106071129
N-(3-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106029311
N-(4-chloro-2-hydroxyphenyl)-5-ethylthiophene-2-sulfonamide
CID 81433105
5-(aminomethyl)-N-(4-chloro-2-iodophenyl)-2-methylthiophene-3-sulfonamide
CID 106087437
N-(2-amino-5-chlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 61454311
N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106090194
N-(4-chloro-2-iodophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106087421
N-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106052050
2-[5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 81260465
N-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107630680

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide (CID 106087386) is N-(4-chloro-2-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide is CNCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2I)s1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is WNOJKUHTOONQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClIN2O2S2/c1-15-7-9-3-5-12(19-9)20(17,18)16-11-4-2-8(13)6-10(11)14/h2-6,15-16H,7H2,1H3.
What are the key properties of N-(4-chloro-2-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide?
N-(4-chloro-2-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 442.73 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106087386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).