4-iodo-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide

C10H11IN2O2S2 — CID 163749652

IUPAC4-iodo-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCN1C=CSC1NS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C10H11IN2O2S2/c1-13-6-7-16-10(13)12-17(14,15)9-4-2-8(11)3-5-9/h2-7,10,12H,1H3
InChIKeyLOXDQIBFOXOMEV-UHFFFAOYSA-N
MW382.25 g/mol
LogP2.00
Rot. Bonds3

About 4-iodo-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide

4-iodo-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 163749652) has the molecular formula C10H11IN2O2S2 and a molecular weight of 382.25 g/mol. Its IUPAC name is 4-iodo-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-iodo-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID163749652
Molecular FormulaC10H11IN2O2S2
Molecular Weight382.25 g/mol
Exact Mass381.93
IUPAC Name4-iodo-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCN1C=CSC1NS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C10H11IN2O2S2/c1-13-6-7-16-10(13)12-17(14,15)9-4-2-8(11)3-5-9/h2-7,10,12H,1H3
InChIKeyLOXDQIBFOXOMEV-UHFFFAOYSA-N
XLogP2.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-iodo-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide (CID 163749652) is 4-iodo-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-iodo-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-iodo-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide is CN1C=CSC1NS(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is LOXDQIBFOXOMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O2S2/c1-13-6-7-16-10(13)12-17(14,15)9-4-2-8(11)3-5-9/h2-7,10,12H,1H3.
What are the key properties of 4-iodo-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide?
4-iodo-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 382.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(3-methyl-2H-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 163749652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).