N-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]-2-pyridinyl]thiophene-2-sulfinamide

C16H10Cl2F3N3O2S3 — CID 131968416

IUPACN-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]-2-pyridinyl]thiophene-2-sulfinamide
SMILESO=S(Nc1cc(Cl)cnc1NS(=O)c1cccs1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H10Cl2F3N3O2S3/c17-9-6-13(15(22-8-9)24-29(26)14-2-1-5-27-14)23-28(25)10-3-4-12(18)11(7-10)16(19,20)21/h1-8,23H,(H,22,24)
InChIKeyKUKAWQMJAZVQJM-UHFFFAOYSA-N
MW500.38 g/mol
LogP5.74
Rot. Bonds6

About N-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]-2-pyridinyl]thiophene-2-sulfinamide

N-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]-2-pyridinyl]thiophene-2-sulfinamide (PubChem CID 131968416) has the molecular formula C16H10Cl2F3N3O2S3 and a molecular weight of 500.38 g/mol. Its IUPAC name is N-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]-2-pyridinyl]thiophene-2-sulfinamide.

Molecular Properties

Compound NameN-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]-2-pyridinyl]thiophene-2-sulfinamide
PubChem CID131968416
Molecular FormulaC16H10Cl2F3N3O2S3
Molecular Weight500.38 g/mol
Exact Mass498.93
IUPAC NameN-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]-2-pyridinyl]thiophene-2-sulfinamide
SMILESO=S(Nc1cc(Cl)cnc1NS(=O)c1cccs1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H10Cl2F3N3O2S3/c17-9-6-13(15(22-8-9)24-29(26)14-2-1-5-27-14)23-28(25)10-3-4-12(18)11(7-10)16(19,20)21/h1-8,23H,(H,22,24)
InChIKeyKUKAWQMJAZVQJM-UHFFFAOYSA-N
XLogP5.74
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.38
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]-2-pyridinyl]thiophene-2-sulfinamide with MolForge

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Related Compounds

4-chloro-N-(5-chloro-2-formyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfinamide;ethane
CID 143610499
4-chloro-N-[5-chloro-2-(2,3-dichloropyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfinamide
CID 143610452
N-[2-(5-bromo-4-propan-2-yl-1,2,4-triazol-3-yl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfinamide
CID 143610152
N-[5-chloro-2-(2,4-dimethylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfinamide
CID 143262627
3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43242469
N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 57382886
4-chloro-N-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67227108
N-(3,5-dichloro-2-pyridinyl)thiophene-2-carbothioamide
CID 14003965
4-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-(trifluoromethyl)benzenesulfonamide
CID 133316807
5-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid
CID 80528307
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 4188468
4-chloro-N-[5-chloro-2-(pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11591022

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]-2-pyridinyl]thiophene-2-sulfinamide?
The IUPAC name of N-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]-2-pyridinyl]thiophene-2-sulfinamide (CID 131968416) is N-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]-2-pyridinyl]thiophene-2-sulfinamide.
What is the SMILES notation for N-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]-2-pyridinyl]thiophene-2-sulfinamide?
The canonical SMILES for N-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]-2-pyridinyl]thiophene-2-sulfinamide is O=S(Nc1cc(Cl)cnc1NS(=O)c1cccs1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]-2-pyridinyl]thiophene-2-sulfinamide?
The InChIKey is KUKAWQMJAZVQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F3N3O2S3/c17-9-6-13(15(22-8-9)24-29(26)14-2-1-5-27-14)23-28(25)10-3-4-12(18)11(7-10)16(19,20)21/h1-8,23H,(H,22,24).
What are the key properties of N-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]-2-pyridinyl]thiophene-2-sulfinamide?
N-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]-2-pyridinyl]thiophene-2-sulfinamide has a molecular weight of 500.38 g/mol, XLogP of 5.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]-2-pyridinyl]thiophene-2-sulfinamide is sourced from PubChem (CID 131968416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).