2-(4-chlorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide

C18H14ClFN2O3S2 — CID 55361701

IUPAC2-(4-chlorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1sc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C18H14ClFN2O3S2/c1-11-17(12-2-6-14(20)7-3-12)22-18(26-11)21-16(23)10-27(24,25)15-8-4-13(19)5-9-15/h2-9H,10H2,1H3,(H,21,22,23)
InChIKeyDUTOUPXXWQIYIE-UHFFFAOYSA-N
MW424.91 g/mol
LogP4.32
Rot. Bonds5

About 2-(4-chlorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide

2-(4-chlorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 55361701) has the molecular formula C18H14ClFN2O3S2 and a molecular weight of 424.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID55361701
Molecular FormulaC18H14ClFN2O3S2
Molecular Weight424.91 g/mol
Exact Mass424.01
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1sc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C18H14ClFN2O3S2/c1-11-17(12-2-6-14(20)7-3-12)22-18(26-11)21-16(23)10-27(24,25)15-8-4-13(19)5-9-15/h2-9H,10H2,1H3,(H,21,22,23)
InChIKeyDUTOUPXXWQIYIE-UHFFFAOYSA-N
XLogP4.32
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 16799558
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfonylpropanamide
CID 16552582
3-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 19226381
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177617
2-(benzenesulfonyl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 7254450
4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 3431018
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 19210425
2-cyano-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 167954925
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide
CID 16799550
7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide
CID 119681442
2-(4-chlorophenyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7543926
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 7543712

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (CID 55361701) is 2-(4-chlorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is Cc1sc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is DUTOUPXXWQIYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3S2/c1-11-17(12-2-6-14(20)7-3-12)22-18(26-11)21-16(23)10-27(24,25)15-8-4-13(19)5-9-15/h2-9H,10H2,1H3,(H,21,22,23).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
2-(4-chlorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 424.91 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 55361701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).