2-chloro-N-(2-chloro-5-iodophenyl)-1,3-thiazole-5-sulfonamide

C9H5Cl2IN2O2S2 — CID 114259497

IUPAC2-chloro-N-(2-chloro-5-iodophenyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1cc(I)ccc1Cl)c1cnc(Cl)s1
InChIInChI=1S/C9H5Cl2IN2O2S2/c10-6-2-1-5(12)3-7(6)14-18(15,16)8-4-13-9(11)17-8/h1-4,14H
InChIKeyUIIMENHCMZSJQJ-UHFFFAOYSA-N
MW435.10 g/mol
LogP3.86
Rot. Bonds3

About 2-chloro-N-(2-chloro-5-iodophenyl)-1,3-thiazole-5-sulfonamide

2-chloro-N-(2-chloro-5-iodophenyl)-1,3-thiazole-5-sulfonamide (PubChem CID 114259497) has the molecular formula C9H5Cl2IN2O2S2 and a molecular weight of 435.10 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-5-iodophenyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloro-5-iodophenyl)-1,3-thiazole-5-sulfonamide
PubChem CID114259497
Molecular FormulaC9H5Cl2IN2O2S2
Molecular Weight435.10 g/mol
Exact Mass433.82
IUPAC Name2-chloro-N-(2-chloro-5-iodophenyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1cc(I)ccc1Cl)c1cnc(Cl)s1
InChIInChI=1S/C9H5Cl2IN2O2S2/c10-6-2-1-5(12)3-7(6)14-18(15,16)8-4-13-9(11)17-8/h1-4,14H
InChIKeyUIIMENHCMZSJQJ-UHFFFAOYSA-N
XLogP3.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.10
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-chlorophenyl)-1,3-thiazole-5-sulfonamide
CID 43427443
2-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43455848
2-chloro-N-(2-chloro-4-cyanophenyl)-1,3-thiazole-5-sulfonamide
CID 107807707
N-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 43427435
2-chloro-N-(5-fluoro-2-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43427475
2-chloro-N-(3,5-dichloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide
CID 107573403
2-chloro-N-(2-ethylphenyl)-1,3-thiazole-5-sulfonamide
CID 43455810
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43427486
4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 104932565
2-chloro-N-methyl-1,3-thiazole-5-sulfonamide
CID 43455781
4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzenecarbothioamide
CID 103414697
2-chloro-N-(5-chloro-2-propoxyphenyl)-1,3-thiazole-5-sulfonamide
CID 61041732

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloro-5-iodophenyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2-chloro-5-iodophenyl)-1,3-thiazole-5-sulfonamide (CID 114259497) is 2-chloro-N-(2-chloro-5-iodophenyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-chloro-5-iodophenyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-chloro-5-iodophenyl)-1,3-thiazole-5-sulfonamide is O=S(=O)(Nc1cc(I)ccc1Cl)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(2-chloro-5-iodophenyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is UIIMENHCMZSJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2IN2O2S2/c10-6-2-1-5(12)3-7(6)14-18(15,16)8-4-13-9(11)17-8/h1-4,14H.
What are the key properties of 2-chloro-N-(2-chloro-5-iodophenyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(2-chloro-5-iodophenyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 435.10 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloro-5-iodophenyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 114259497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).