N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide

C13H8ClFN2O2S3 — CID 2554548

IUPACN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc(F)cc1
InChIInChI=1S/C13H8ClFN2O2S3/c14-12-6-5-11(21-12)10-7-20-13(16-10)17-22(18,19)9-3-1-8(15)2-4-9/h1-7H,(H,16,17)
InChIKeyCMHAAAWRVXMNGJ-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.46
Rot. Bonds4

About N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide (PubChem CID 2554548) has the molecular formula C13H8ClFN2O2S3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
PubChem CID2554548
Molecular FormulaC13H8ClFN2O2S3
Molecular Weight374.87 g/mol
Exact Mass373.94
IUPAC NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc(F)cc1
InChIInChI=1S/C13H8ClFN2O2S3/c14-12-6-5-11(21-12)10-7-20-13(16-10)17-22(18,19)9-3-1-8(15)2-4-9/h1-7H,(H,16,17)
InChIKeyCMHAAAWRVXMNGJ-UHFFFAOYSA-N
XLogP4.46
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.46
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

N-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 9116477
N-(benzo[d]thiazol-2-yl)-5-chlorothiophene-2-sulfonamide
CID 893880
4-(5-Chlorothiophen-2-yl)-1,3-thiazol-2-amine
CID 701782
4-chloro-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2738778
4-[1-(4-Chlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 2998200
2,5-dichloro-N-[4-(3-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 1488444
4-(5-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine
CID 2809410
4,5-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
CID 10114364
3-Bromo-5-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiophenesulfonamide
CID 10205410
4-Bromo-5-chloro-N-[4-(3-chloro-2-thienyl)-1,3-thiazol-2-yl]-2-thiophenesulfonamide
CID 10299227
4-Bromo-N-[4-(3-chloro-2-thienyl)-1,3-thiazol-2-yl]-2,5-difluorobenzenesulfonamide
CID 11167349
4-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 1069057

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide (CID 2554548) is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc(F)cc1.
What is the InChIKey of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide?
The InChIKey is CMHAAAWRVXMNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O2S3/c14-12-6-5-11(21-12)10-7-20-13(16-10)17-22(18,19)9-3-1-8(15)2-4-9/h1-7H,(H,16,17).
What are the key properties of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide?
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide has a molecular weight of 374.87 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 2554548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).