2-(2,3,4-trichlorophenyl)-1,3-thiazole-5-sulfonamide

C9H5Cl3N2O2S2 — CID 118813692

IUPAC2-(2,3,4-trichlorophenyl)-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(-c2ccc(Cl)c(Cl)c2Cl)s1
InChIInChI=1S/C9H5Cl3N2O2S2/c10-5-2-1-4(7(11)8(5)12)9-14-3-6(17-9)18(13,15)16/h1-3H,(H2,13,15,16)
InChIKeyRUKWIJUPZZSOGD-UHFFFAOYSA-N
MW343.64 g/mol
LogP3.42
Rot. Bonds2

About 2-(2,3,4-trichlorophenyl)-1,3-thiazole-5-sulfonamide

2-(2,3,4-trichlorophenyl)-1,3-thiazole-5-sulfonamide (PubChem CID 118813692) has the molecular formula C9H5Cl3N2O2S2 and a molecular weight of 343.64 g/mol. Its IUPAC name is 2-(2,3,4-trichlorophenyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-(2,3,4-trichlorophenyl)-1,3-thiazole-5-sulfonamide
PubChem CID118813692
Molecular FormulaC9H5Cl3N2O2S2
Molecular Weight343.64 g/mol
Exact Mass341.89
IUPAC Name2-(2,3,4-trichlorophenyl)-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(-c2ccc(Cl)c(Cl)c2Cl)s1
InChIInChI=1S/C9H5Cl3N2O2S2/c10-5-2-1-4(7(11)8(5)12)9-14-3-6(17-9)18(13,15)16/h1-3H,(H2,13,15,16)
InChIKeyRUKWIJUPZZSOGD-UHFFFAOYSA-N
XLogP3.42
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.64
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-trichlorophenyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-(2,3,4-trichlorophenyl)-1,3-thiazole-5-sulfonamide (CID 118813692) is 2-(2,3,4-trichlorophenyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-(2,3,4-trichlorophenyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-(2,3,4-trichlorophenyl)-1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cnc(-c2ccc(Cl)c(Cl)c2Cl)s1.
What is the InChIKey of 2-(2,3,4-trichlorophenyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is RUKWIJUPZZSOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3N2O2S2/c10-5-2-1-4(7(11)8(5)12)9-14-3-6(17-9)18(13,15)16/h1-3H,(H2,13,15,16).
What are the key properties of 2-(2,3,4-trichlorophenyl)-1,3-thiazole-5-sulfonamide?
2-(2,3,4-trichlorophenyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 343.64 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trichlorophenyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 118813692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).