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

C11H11IN2O2S2 — CID 106030161

IUPAC5-(aminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2ccccc2I)cs1
InChIInChI=1S/C11H11IN2O2S2/c12-10-3-1-2-4-11(10)14-18(15,16)9-5-8(6-13)17-7-9/h1-5,7,14H,6,13H2
InChIKeyLXADNJNIASIADV-UHFFFAOYSA-N
MW394.26 g/mol
LogP2.61
Rot. Bonds4

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

5-(aminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide (PubChem CID 106030161) has the molecular formula C11H11IN2O2S2 and a molecular weight of 394.26 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide
PubChem CID106030161
Molecular FormulaC11H11IN2O2S2
Molecular Weight394.26 g/mol
Exact Mass393.93
IUPAC Name5-(aminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2ccccc2I)cs1
InChIInChI=1S/C11H11IN2O2S2/c12-10-3-1-2-4-11(10)14-18(15,16)9-5-8(6-13)17-7-9/h1-5,7,14H,6,13H2
InChIKeyLXADNJNIASIADV-UHFFFAOYSA-N
XLogP2.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 52.61
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-bromophenyl)thiophene-3-sulfonamide
CID 106061159
5-(ethylaminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide
CID 106030281
5-(aminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide
CID 106082397
5-(aminomethyl)-N-(2,5-difluorophenyl)thiophene-3-sulfonamide
CID 106058021
5-(aminomethyl)-2-bromo-N-(2-iodophenyl)thiophene-3-sulfonamide
CID 106030310
5-(aminomethyl)-N-(4-bromo-2-methylphenyl)thiophene-3-sulfonamide
CID 106057499
N-(2-iodophenyl)benzenesulfonamide
CID 632219
5-(aminomethyl)-N-(4-methylsulfanylphenyl)thiophene-3-sulfonamide
CID 106057752
5-(aminomethyl)-N-(2,5-difluoro-4-methylphenyl)thiophene-3-sulfonamide
CID 106087283
5-(aminomethyl)-N-pyridazin-3-ylthiophene-3-sulfonamide
CID 106084044
5-(aminomethyl)-N-(2,5-dimethoxyphenyl)thiophene-3-sulfonamide
CID 106058867
3-amino-N-(2-iodophenyl)benzenesulfonamide
CID 43124659

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide (CID 106030161) is 5-(aminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide is NCc1cc(S(=O)(=O)Nc2ccccc2I)cs1.
What is the InChIKey of 5-(aminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide?
The InChIKey is LXADNJNIASIADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2O2S2/c12-10-3-1-2-4-11(10)14-18(15,16)9-5-8(6-13)17-7-9/h1-5,7,14H,6,13H2.
What are the key properties of 5-(aminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide?
5-(aminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide has a molecular weight of 394.26 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106030161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).