4,5-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide

C13H6Cl3FN2O2S3 — CID 10114364

IUPAC4,5-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc(-c2c(F)cccc2Cl)cs1)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C13H6Cl3FN2O2S3/c14-6-2-1-3-8(17)11(6)9-5-22-13(18-9)19-24(20,21)10-4-7(15)12(16)23-10/h1-5H,(H,18,19)
InChIKeyLXXRUQRDBHMNOA-UHFFFAOYSA-N
MW443.76 g/mol
LogP5.77
Rot. Bonds4

About 4,5-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide

4,5-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide (PubChem CID 10114364) has the molecular formula C13H6Cl3FN2O2S3 and a molecular weight of 443.76 g/mol. Its IUPAC name is 4,5-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4,5-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
PubChem CID10114364
Molecular FormulaC13H6Cl3FN2O2S3
Molecular Weight443.76 g/mol
Exact Mass441.86
IUPAC Name4,5-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc(-c2c(F)cccc2Cl)cs1)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C13H6Cl3FN2O2S3/c14-6-2-1-3-8(17)11(6)9-5-22-13(18-9)19-24(20,21)10-4-7(15)12(16)23-10/h1-5H,(H,18,19)
InChIKeyLXXRUQRDBHMNOA-UHFFFAOYSA-N
XLogP5.77
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.76
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]-6-methylbenzenesulfonamide
CID 10138882
2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 7941095
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzenesulfonamide
CID 3748114
2,5-dichloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 71396289
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-chlorobenzenesulfonamide
CID 28861731
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 39038759
2-[2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 103099582
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 8603530
4-amino-2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10761363
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577359
4-bromo-N-[3-(2-chloro-6-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide
CID 22027901
3-[(4,5-dichlorothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid
CID 161390191

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 4,5-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide (CID 10114364) is 4,5-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 4,5-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 4,5-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1nc(-c2c(F)cccc2Cl)cs1)c1cc(Cl)c(Cl)s1.
What is the InChIKey of 4,5-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
The InChIKey is LXXRUQRDBHMNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3FN2O2S3/c14-6-2-1-3-8(17)11(6)9-5-22-13(18-9)19-24(20,21)10-4-7(15)12(16)23-10/h1-5H,(H,18,19).
What are the key properties of 4,5-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
4,5-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide has a molecular weight of 443.76 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 10114364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).