2-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-sulfonamide

C11H7ClF3N3O2S — CID 82795250

IUPAC2-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)nc1)c1ccnc(Cl)c1
InChIInChI=1S/C11H7ClF3N3O2S/c12-10-5-8(3-4-16-10)21(19,20)18-7-1-2-9(17-6-7)11(13,14)15/h1-6,18H
InChIKeyZMIOIPHRLMPZID-UHFFFAOYSA-N
MW337.71 g/mol
LogP2.95
Rot. Bonds3

About 2-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-sulfonamide

2-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-sulfonamide (PubChem CID 82795250) has the molecular formula C11H7ClF3N3O2S and a molecular weight of 337.71 g/mol. Its IUPAC name is 2-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-sulfonamide
PubChem CID82795250
Molecular FormulaC11H7ClF3N3O2S
Molecular Weight337.71 g/mol
Exact Mass336.99
IUPAC Name2-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)nc1)c1ccnc(Cl)c1
InChIInChI=1S/C11H7ClF3N3O2S/c12-10-5-8(3-4-16-10)21(19,20)18-7-1-2-9(17-6-7)11(13,14)15/h1-6,18H
InChIKeyZMIOIPHRLMPZID-UHFFFAOYSA-N
XLogP2.95
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.71
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-4-sulfonamide
CID 61051988
4-chloro-N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 56532242
N-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide
CID 103944025
2-chloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide
CID 107573404
5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-2-sulfonamide
CID 166188989
2-chloro-N-(4-ethoxyphenyl)pyridine-4-sulfonamide
CID 61003549
2-chloro-N-(5-fluoro-2-pyridinyl)pyridine-4-sulfonamide
CID 65482049
N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3851411
2-chloro-N-(4-chloro-3-nitrophenyl)pyridine-4-sulfonamide
CID 61051683
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide
CID 61041107
2-chloro-N-(2,5-difluorophenyl)pyridine-4-sulfonamide
CID 54895626
2-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide
CID 82795405

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-sulfonamide (CID 82795250) is 2-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-sulfonamide is O=S(=O)(Nc1ccc(C(F)(F)F)nc1)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-sulfonamide?
The InChIKey is ZMIOIPHRLMPZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O2S/c12-10-5-8(3-4-16-10)21(19,20)18-7-1-2-9(17-6-7)11(13,14)15/h1-6,18H.
What are the key properties of 2-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-sulfonamide?
2-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-sulfonamide has a molecular weight of 337.71 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-sulfonamide is sourced from PubChem (CID 82795250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).