5-(aminomethyl)-N-(3-iodophenyl)-1H-pyrrole-3-sulfonamide

C11H12IN3O2S — CID 114138720

IUPAC5-(aminomethyl)-N-(3-iodophenyl)-1H-pyrrole-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2cccc(I)c2)c[nH]1
InChIInChI=1S/C11H12IN3O2S/c12-8-2-1-3-9(4-8)15-18(16,17)11-5-10(6-13)14-7-11/h1-5,7,14-15H,6,13H2
InChIKeyUJASGPIWOGTNJF-UHFFFAOYSA-N
MW377.21 g/mol
LogP1.88
Rot. Bonds4

About 5-(aminomethyl)-N-(3-iodophenyl)-1H-pyrrole-3-sulfonamide

5-(aminomethyl)-N-(3-iodophenyl)-1H-pyrrole-3-sulfonamide (PubChem CID 114138720) has the molecular formula C11H12IN3O2S and a molecular weight of 377.21 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3-iodophenyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3-iodophenyl)-1H-pyrrole-3-sulfonamide
PubChem CID114138720
Molecular FormulaC11H12IN3O2S
Molecular Weight377.21 g/mol
Exact Mass376.97
IUPAC Name5-(aminomethyl)-N-(3-iodophenyl)-1H-pyrrole-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2cccc(I)c2)c[nH]1
InChIInChI=1S/C11H12IN3O2S/c12-8-2-1-3-9(4-8)15-18(16,17)11-5-10(6-13)14-7-11/h1-5,7,14-15H,6,13H2
InChIKeyUJASGPIWOGTNJF-UHFFFAOYSA-N
XLogP1.88
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(3-iodophenyl)sulfamoyl]phenyl]ethanethioamide
CID 79185295
3-amino-N-(3-iodophenyl)-4-methylbenzenesulfonamide
CID 43124457
5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-1H-pyrrole-3-sulfonamide
CID 106058647
5-(aminomethyl)-N-(3-iodophenyl)pyridine-2-sulfonamide
CID 106029529
N-(3-iodophenyl)pyridine-3-sulfonamide
CID 61400317
N-(3-iodophenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 56582438
5-(aminomethyl)-N-(4-bromo-2,6-difluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106066663
3-[(3-iodophenyl)sulfamoyl]benzoic acid
CID 25335262
5-(aminomethyl)-N-(2,3,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106056264
5-(aminomethyl)-3-bromo-N-(3-iodophenyl)-2-methylbenzenesulfonamide
CID 106029454
3,4-diethoxy-N-(3-iodophenyl)benzenesulfonamide
CID 27658180
4-bromo-N-(3-iodophenyl)-3-methylbenzenesulfonamide
CID 60640765

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3-iodophenyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(3-iodophenyl)-1H-pyrrole-3-sulfonamide (CID 114138720) is 5-(aminomethyl)-N-(3-iodophenyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(3-iodophenyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(3-iodophenyl)-1H-pyrrole-3-sulfonamide is NCc1cc(S(=O)(=O)Nc2cccc(I)c2)c[nH]1.
What is the InChIKey of 5-(aminomethyl)-N-(3-iodophenyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is UJASGPIWOGTNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN3O2S/c12-8-2-1-3-9(4-8)15-18(16,17)11-5-10(6-13)14-7-11/h1-5,7,14-15H,6,13H2.
What are the key properties of 5-(aminomethyl)-N-(3-iodophenyl)-1H-pyrrole-3-sulfonamide?
5-(aminomethyl)-N-(3-iodophenyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 377.21 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3-iodophenyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 114138720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).