2-chloro-N-(3,5-dichloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide

C9H4Cl3FN2O2S2 — CID 107573403

IUPAC2-chloro-N-(3,5-dichloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(F)c(Cl)c1)c1cnc(Cl)s1
InChIInChI=1S/C9H4Cl3FN2O2S2/c10-5-1-4(2-6(11)8(5)13)15-19(16,17)7-3-14-9(12)18-7/h1-3,15H
InChIKeyIBDPYLKPLDZRJA-UHFFFAOYSA-N
MW361.63 g/mol
LogP4.04
Rot. Bonds3

About 2-chloro-N-(3,5-dichloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide

2-chloro-N-(3,5-dichloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide (PubChem CID 107573403) has the molecular formula C9H4Cl3FN2O2S2 and a molecular weight of 361.63 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dichloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dichloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide
PubChem CID107573403
Molecular FormulaC9H4Cl3FN2O2S2
Molecular Weight361.63 g/mol
Exact Mass359.88
IUPAC Name2-chloro-N-(3,5-dichloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(F)c(Cl)c1)c1cnc(Cl)s1
InChIInChI=1S/C9H4Cl3FN2O2S2/c10-5-1-4(2-6(11)8(5)13)15-19(16,17)7-3-14-9(12)18-7/h1-3,15H
InChIKeyIBDPYLKPLDZRJA-UHFFFAOYSA-N
XLogP4.04
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.63
LogP ≤ 54.04
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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Related Compounds

2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
CID 116699344
2-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
CID 61229017
N-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 43427435
N-(4-bromo-2,6-difluorophenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 65467042
2-chloro-N-(2-chlorophenyl)-1,3-thiazole-5-sulfonamide
CID 43427443
2-chloro-N-(2-chloro-5-iodophenyl)-1,3-thiazole-5-sulfonamide
CID 114259497
2-chloro-N-(5-fluoro-2-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43427475
2-chloro-N-(3-sulfamoylphenyl)-1,3-thiazole-5-sulfonamide
CID 43427451
2-chloro-N-methyl-1,3-thiazole-5-sulfonamide
CID 43455781
2-chloro-N-(2,6-dibromo-4-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43455933
methyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]benzoate
CID 60749436
N-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 61051227

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dichloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3,5-dichloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide (CID 107573403) is 2-chloro-N-(3,5-dichloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3,5-dichloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3,5-dichloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide is O=S(=O)(Nc1cc(Cl)c(F)c(Cl)c1)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(3,5-dichloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is IBDPYLKPLDZRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl3FN2O2S2/c10-5-1-4(2-6(11)8(5)13)15-19(16,17)7-3-14-9(12)18-7/h1-3,15H.
What are the key properties of 2-chloro-N-(3,5-dichloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(3,5-dichloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 361.63 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dichloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 107573403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).