N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

C18H14Cl2FN3O3S3 — CID 16827505

IUPACN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H14Cl2FN3O3S3/c19-15-8-12(16(20)29-15)13-9-28-18(22-13)23-17(25)14-2-1-7-24(14)30(26,27)11-5-3-10(21)4-6-11/h3-6,8-9,14H,1-2,7H2,(H,22,23,25)
InChIKeyAYKACLJVXQJQHC-UHFFFAOYSA-N
MW506.43 g/mol
LogP5.11
Rot. Bonds5

About N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 16827505) has the molecular formula C18H14Cl2FN3O3S3 and a molecular weight of 506.43 g/mol. Its IUPAC name is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID16827505
Molecular FormulaC18H14Cl2FN3O3S3
Molecular Weight506.43 g/mol
Exact Mass504.96
IUPAC NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H14Cl2FN3O3S3/c19-15-8-12(16(20)29-15)13-9-28-18(22-13)23-17(25)14-2-1-7-24(14)30(26,27)11-5-3-10(21)4-6-11/h3-6,8-9,14H,1-2,7H2,(H,22,23,25)
InChIKeyAYKACLJVXQJQHC-UHFFFAOYSA-N
XLogP5.11
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.43
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 16828927
(2R)-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27376198
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826333
1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 16830878
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 4186489
1-(4-chlorophenyl)sulfonyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 16827760
(2R)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 124526137
1-(4-chlorophenyl)sulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 16827761
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 4034649
(2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 2318282
(2S)-N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 40860794
1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 16826666

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 16827505) is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)C1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is AYKACLJVXQJQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2FN3O3S3/c19-15-8-12(16(20)29-15)13-9-28-18(22-13)23-17(25)14-2-1-7-24(14)30(26,27)11-5-3-10(21)4-6-11/h3-6,8-9,14H,1-2,7H2,(H,22,23,25).
What are the key properties of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 506.43 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 16827505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).