N-(4-chloro-2-iodophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide

C13H14ClIN2O2S2 — CID 106087421

IUPACN-(4-chloro-2-iodophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C13H14ClIN2O2S2/c1-2-16-8-12-13(5-6-20-12)21(18,19)17-11-4-3-9(14)7-10(11)15/h3-7,16-17H,2,8H2,1H3
InChIKeyZRWBOJMUEJSNKU-UHFFFAOYSA-N
MW456.76 g/mol
LogP3.92
Rot. Bonds6

About N-(4-chloro-2-iodophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide

N-(4-chloro-2-iodophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106087421) has the molecular formula C13H14ClIN2O2S2 and a molecular weight of 456.76 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
PubChem CID106087421
Molecular FormulaC13H14ClIN2O2S2
Molecular Weight456.76 g/mol
Exact Mass455.92
IUPAC NameN-(4-chloro-2-iodophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C13H14ClIN2O2S2/c1-2-16-8-12-13(5-6-20-12)21(18,19)17-11-4-3-9(14)7-10(11)15/h3-7,16-17H,2,8H2,1H3
InChIKeyZRWBOJMUEJSNKU-UHFFFAOYSA-N
XLogP3.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.76
LogP ≤ 53.92
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-(2,5-dibromophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106007249
N-(5-chloro-2-fluorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106030361
2-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)thiophene-3-sulfonamide
CID 106056142
3-bromo-N-(4-chloro-2-iodophenyl)thiophene-2-sulfonamide
CID 107629908
N-(4-chloro-2-iodophenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 107630667
2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)thiophene-3-sulfonamide
CID 106030355
N-(4-chloro-2-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087386
N-(4-chlorophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106060779
5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-4-methylbenzenesulfonamide
CID 107624631
N-(2-bromo-6-fluorophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106089648
5-(aminomethyl)-N-(4-chloro-2-iodophenyl)-2-methylthiophene-3-sulfonamide
CID 106087437
N-(5-bromo-4-methyl-2-pyridinyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106070832

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide (CID 106087421) is N-(4-chloro-2-iodophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide is CCNCc1sccc1S(=O)(=O)Nc1ccc(Cl)cc1I.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is ZRWBOJMUEJSNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClIN2O2S2/c1-2-16-8-12-13(5-6-20-12)21(18,19)17-11-4-3-9(14)7-10(11)15/h3-7,16-17H,2,8H2,1H3.
What are the key properties of N-(4-chloro-2-iodophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide?
N-(4-chloro-2-iodophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 456.76 g/mol, XLogP of 3.92, 6 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)-2-(ethylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106087421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).