4-iodo-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide

C15H12IN3O2S2 — CID 3834955

IUPAC4-iodo-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-c2csnn2)cc1)c1ccc(I)cc1
InChIInChI=1S/C15H12IN3O2S2/c16-13-5-7-14(8-6-13)23(20,21)17-9-11-1-3-12(4-2-11)15-10-22-19-18-15/h1-8,10,17H,9H2
InChIKeyJBUYQFKNYGLTPW-UHFFFAOYSA-N
MW457.32 g/mol
LogP3.29
Rot. Bonds5

About 4-iodo-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide

4-iodo-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 3834955) has the molecular formula C15H12IN3O2S2 and a molecular weight of 457.32 g/mol. Its IUPAC name is 4-iodo-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-iodo-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide
PubChem CID3834955
Molecular FormulaC15H12IN3O2S2
Molecular Weight457.32 g/mol
Exact Mass456.94
IUPAC Name4-iodo-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-c2csnn2)cc1)c1ccc(I)cc1
InChIInChI=1S/C15H12IN3O2S2/c16-13-5-7-14(8-6-13)23(20,21)17-9-11-1-3-12(4-2-11)15-10-22-19-18-15/h1-8,10,17H,9H2
InChIKeyJBUYQFKNYGLTPW-UHFFFAOYSA-N
XLogP3.29
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide
CID 5000374
N-[[4-(thiadiazol-4-yl)phenyl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide
CID 16739166
2,5-dimethoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide
CID 25048385
5-bromo-2-methoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide
CID 25047813
N-(3-azidopropyl)-4-(thiadiazol-4-yl)benzenesulfonamide
CID 86070138
N-[(3,5-dichlorophenyl)methyl]-4-iodobenzenesulfonamide
CID 3717692
3,5-dichloro-N-[(4-iodophenyl)methyl]benzenesulfonamide
CID 4657753
4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54895455
1-phenyl-2-[[4-(thiadiazol-4-yl)phenyl]methyl]hydrazine
CID 169386844
4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820100
4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 54774003
N-[(3-bromo-4-fluorophenyl)methyl]-4-iodobenzenesulfonamide
CID 3790083

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-iodo-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide (CID 3834955) is 4-iodo-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-iodo-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-iodo-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(-c2csnn2)cc1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is JBUYQFKNYGLTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN3O2S2/c16-13-5-7-14(8-6-13)23(20,21)17-9-11-1-3-12(4-2-11)15-10-22-19-18-15/h1-8,10,17H,9H2.
What are the key properties of 4-iodo-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide?
4-iodo-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 457.32 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 3834955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).