N-(4,5-dihydro-1,3-thiazol-2-yl)-4-iodobenzenesulfonamide

C9H9IN2O2S2 — CID 70999018

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-4-iodobenzenesulfonamide
SMILESO=S(=O)(NC1=NCCS1)c1ccc(I)cc1
InChIInChI=1S/C9H9IN2O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-4H,5-6H2,(H,11,12)
InChIKeyJNBKRSFWIMHWGC-UHFFFAOYSA-N
MW368.22 g/mol
LogP1.67
Rot. Bonds2

About N-(4,5-dihydro-1,3-thiazol-2-yl)-4-iodobenzenesulfonamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-4-iodobenzenesulfonamide (PubChem CID 70999018) has the molecular formula C9H9IN2O2S2 and a molecular weight of 368.22 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-iodobenzenesulfonamide
PubChem CID70999018
Molecular FormulaC9H9IN2O2S2
Molecular Weight368.22 g/mol
Exact Mass367.92
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-iodobenzenesulfonamide
SMILESO=S(=O)(NC1=NCCS1)c1ccc(I)cc1
InChIInChI=1S/C9H9IN2O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-4H,5-6H2,(H,11,12)
InChIKeyJNBKRSFWIMHWGC-UHFFFAOYSA-N
XLogP1.67
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 51.67
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 N-(4,5-dihydro-1,3-thiazol-2-yl)-4-iodobenzenesulfonamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-iodobenzenesulfonamide (CID 70999018) is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-iodobenzenesulfonamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-iodobenzenesulfonamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-iodobenzenesulfonamide is O=S(=O)(NC1=NCCS1)c1ccc(I)cc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-iodobenzenesulfonamide?
The InChIKey is JNBKRSFWIMHWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN2O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-4H,5-6H2,(H,11,12).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-iodobenzenesulfonamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-iodobenzenesulfonamide has a molecular weight of 368.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-iodobenzenesulfonamide is sourced from PubChem (CID 70999018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).