2,5-dichloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide

C15H9Cl2FN2O2S2 — CID 71396289

IUPAC2,5-dichloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H9Cl2FN2O2S2/c16-10-3-6-12(17)14(7-10)24(21,22)20-15-19-13(8-23-15)9-1-4-11(18)5-2-9/h1-8H,(H,19,20)
InChIKeyBMWGPASLZDRPBW-UHFFFAOYSA-N
MW403.29 g/mol
LogP5.06
Rot. Bonds4

About 2,5-dichloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide

2,5-dichloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 71396289) has the molecular formula C15H9Cl2FN2O2S2 and a molecular weight of 403.29 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID71396289
Molecular FormulaC15H9Cl2FN2O2S2
Molecular Weight403.29 g/mol
Exact Mass401.95
IUPAC Name2,5-dichloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H9Cl2FN2O2S2/c16-10-3-6-12(17)14(7-10)24(21,22)20-15-19-13(8-23-15)9-1-4-11(18)5-2-9/h1-8H,(H,19,20)
InChIKeyBMWGPASLZDRPBW-UHFFFAOYSA-N
XLogP5.06
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.29
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 7941095
2-chloro-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
CID 167896231
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 25024188
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzenesulfonamide
CID 3748114
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
CID 19203678
2-bromo-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4,5-dimethoxybenzenesulfonamide
CID 112773655
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide
CID 91966356
4-amino-2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10761363
N-[[4-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 108782675
2,5-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969901
2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 3702583
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-chlorobenzenesulfonamide
CID 28861731

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 71396289) is 2,5-dichloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is BMWGPASLZDRPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2O2S2/c16-10-3-6-12(17)14(7-10)24(21,22)20-15-19-13(8-23-15)9-1-4-11(18)5-2-9/h1-8H,(H,19,20).
What are the key properties of 2,5-dichloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
2,5-dichloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 403.29 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 71396289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).