5-(aminomethyl)-N-(4-chloro-2-iodophenyl)-2-methylthiophene-3-sulfonamide

C12H12ClIN2O2S2 — CID 106087437

IUPAC5-(aminomethyl)-N-(4-chloro-2-iodophenyl)-2-methylthiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C12H12ClIN2O2S2/c1-7-12(5-9(6-15)19-7)20(17,18)16-11-3-2-8(13)4-10(11)14/h2-5,16H,6,15H2,1H3
InChIKeyYMJVJWLSJRRRLK-UHFFFAOYSA-N
MW442.73 g/mol
LogP3.57
Rot. Bonds4

About 5-(aminomethyl)-N-(4-chloro-2-iodophenyl)-2-methylthiophene-3-sulfonamide

5-(aminomethyl)-N-(4-chloro-2-iodophenyl)-2-methylthiophene-3-sulfonamide (PubChem CID 106087437) has the molecular formula C12H12ClIN2O2S2 and a molecular weight of 442.73 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-chloro-2-iodophenyl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-chloro-2-iodophenyl)-2-methylthiophene-3-sulfonamide
PubChem CID106087437
Molecular FormulaC12H12ClIN2O2S2
Molecular Weight442.73 g/mol
Exact Mass441.91
IUPAC Name5-(aminomethyl)-N-(4-chloro-2-iodophenyl)-2-methylthiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C12H12ClIN2O2S2/c1-7-12(5-9(6-15)19-7)20(17,18)16-11-3-2-8(13)4-10(11)14/h2-5,16H,6,15H2,1H3
InChIKeyYMJVJWLSJRRRLK-UHFFFAOYSA-N
XLogP3.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.73
LogP ≤ 53.57
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-(2,4-dichlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106057468
5-(aminomethyl)-N-(2-chlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106061940
5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylthiophene-3-sulfonamide
CID 106029213
5-(aminomethyl)-N-(4-bromo-2-fluorophenyl)-2-methylthiophene-3-sulfonamide
CID 106058485
5-(aminomethyl)-N-(5-bromo-2-chlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106056715
5-(aminomethyl)-2-bromo-N-(2-bromo-4-chlorophenyl)thiophene-3-sulfonamide
CID 106073516
5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide
CID 106007333
2-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 106087423
5-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-2-methylthiophene-3-sulfonamide
CID 106052167
5-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-2-methylthiophene-3-sulfonamide
CID 106088832
N-(4-chloro-2-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087386
5-(aminomethyl)-2-bromo-N-(2-iodophenyl)thiophene-3-sulfonamide
CID 106030310

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-chloro-2-iodophenyl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(4-chloro-2-iodophenyl)-2-methylthiophene-3-sulfonamide (CID 106087437) is 5-(aminomethyl)-N-(4-chloro-2-iodophenyl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4-chloro-2-iodophenyl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(4-chloro-2-iodophenyl)-2-methylthiophene-3-sulfonamide is Cc1sc(CN)cc1S(=O)(=O)Nc1ccc(Cl)cc1I.
What is the InChIKey of 5-(aminomethyl)-N-(4-chloro-2-iodophenyl)-2-methylthiophene-3-sulfonamide?
The InChIKey is YMJVJWLSJRRRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClIN2O2S2/c1-7-12(5-9(6-15)19-7)20(17,18)16-11-3-2-8(13)4-10(11)14/h2-5,16H,6,15H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(4-chloro-2-iodophenyl)-2-methylthiophene-3-sulfonamide?
5-(aminomethyl)-N-(4-chloro-2-iodophenyl)-2-methylthiophene-3-sulfonamide has a molecular weight of 442.73 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4-chloro-2-iodophenyl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106087437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).