2,4-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]-6-methylbenzenesulfonamide

C16H10Cl3FN2O2S2 — CID 10138882

IUPAC2,4-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]-6-methylbenzenesulfonamide
SMILESCc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(-c2c(F)cccc2Cl)cs1
InChIInChI=1S/C16H10Cl3FN2O2S2/c1-8-5-9(17)6-11(19)15(8)26(23,24)22-16-21-13(7-25-16)14-10(18)3-2-4-12(14)20/h2-7H,1H3,(H,21,22)
InChIKeyVUQXWOCNCDSVII-UHFFFAOYSA-N
MW451.76 g/mol
LogP6.02
Rot. Bonds4

About 2,4-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]-6-methylbenzenesulfonamide

2,4-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]-6-methylbenzenesulfonamide (PubChem CID 10138882) has the molecular formula C16H10Cl3FN2O2S2 and a molecular weight of 451.76 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]-6-methylbenzenesulfonamide
PubChem CID10138882
Molecular FormulaC16H10Cl3FN2O2S2
Molecular Weight451.76 g/mol
Exact Mass449.92
IUPAC Name2,4-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]-6-methylbenzenesulfonamide
SMILESCc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(-c2c(F)cccc2Cl)cs1
InChIInChI=1S/C16H10Cl3FN2O2S2/c1-8-5-9(17)6-11(19)15(8)26(23,24)22-16-21-13(7-25-16)14-10(18)3-2-4-12(14)20/h2-7H,1H3,(H,21,22)
InChIKeyVUQXWOCNCDSVII-UHFFFAOYSA-N
XLogP6.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.76
LogP ≤ 56.02
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

4,5-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
CID 10114364
2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-2-oxoacetic acid
CID 87546058
ethyl 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-2-oxoacetate
CID 10137087
2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 7941095
2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 87545701
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzenesulfonamide
CID 3748114
2,4-dichloro-6-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 10270918
2,5-dichloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 71396289
4-bromo-N-[3-(2-chloro-6-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide
CID 22027901
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 39038759
N-(5-butyl-4-methyl-1,3-thiazol-2-yl)-2,4-dichloro-6-methylbenzenesulfonamide
CID 10200568
2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-diethylacetamide
CID 22028001

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]-6-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]-6-methylbenzenesulfonamide (CID 10138882) is 2,4-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]-6-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]-6-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]-6-methylbenzenesulfonamide is Cc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(-c2c(F)cccc2Cl)cs1.
What is the InChIKey of 2,4-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]-6-methylbenzenesulfonamide?
The InChIKey is VUQXWOCNCDSVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3FN2O2S2/c1-8-5-9(17)6-11(19)15(8)26(23,24)22-16-21-13(7-25-16)14-10(18)3-2-4-12(14)20/h2-7H,1H3,(H,21,22).
What are the key properties of 2,4-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]-6-methylbenzenesulfonamide?
2,4-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]-6-methylbenzenesulfonamide has a molecular weight of 451.76 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]-6-methylbenzenesulfonamide is sourced from PubChem (CID 10138882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).