1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide

C18H15ClFN3O3S3 — CID 16830878

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cs1)C1CCCN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C18H15ClFN3O3S3/c19-15-7-8-16(28-15)29(25,26)23-9-1-2-14(23)17(24)22-18-21-13(10-27-18)11-3-5-12(20)6-4-11/h3-8,10,14H,1-2,9H2,(H,21,22,24)
InChIKeyPLEDMLIVLMHEAJ-UHFFFAOYSA-N
MW471.99 g/mol
LogP4.46
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide

1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 16830878) has the molecular formula C18H15ClFN3O3S3 and a molecular weight of 471.99 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
PubChem CID16830878
Molecular FormulaC18H15ClFN3O3S3
Molecular Weight471.99 g/mol
Exact Mass470.99
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cs1)C1CCCN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C18H15ClFN3O3S3/c19-15-7-8-16(28-15)29(25,26)23-9-1-2-14(23)17(24)22-18-21-13(10-27-18)11-3-5-12(20)6-4-11/h3-8,10,14H,1-2,9H2,(H,21,22,24)
InChIKeyPLEDMLIVLMHEAJ-UHFFFAOYSA-N
XLogP4.46
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 16826619
methyl 4-[2-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carbonyl]amino]-1,3-thiazol-4-yl]benzoate
CID 16826657
(2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 41398075
1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 16826666
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827505
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17436246
(2R)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 124526137
1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16830926
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614870
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614869
N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 16830699
(2R)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 41397873

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide (CID 16830878) is 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide is O=C(Nc1nc(-c2ccc(F)cc2)cs1)C1CCCN1S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is PLEDMLIVLMHEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3S3/c19-15-7-8-16(28-15)29(25,26)23-9-1-2-14(23)17(24)22-18-21-13(10-27-18)11-3-5-12(20)6-4-11/h3-8,10,14H,1-2,9H2,(H,21,22,24).
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 471.99 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 16830878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).