N-[4-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide

C13H9ClF3N3O3S — CID 110303473

IUPACN-[4-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1)C(F)(F)F
InChIInChI=1S/C13H9ClF3N3O3S/c14-11-6-5-10(7-18-11)24(22,23)20-9-3-1-8(2-4-9)19-12(21)13(15,16)17/h1-7,20H,(H,19,21)
InChIKeyICHDHWGPLCAHQL-UHFFFAOYSA-N
MW379.75 g/mol
LogP3.04
Rot. Bonds4

About N-[4-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide

N-[4-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 110303473) has the molecular formula C13H9ClF3N3O3S and a molecular weight of 379.75 g/mol. Its IUPAC name is N-[4-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide
PubChem CID110303473
Molecular FormulaC13H9ClF3N3O3S
Molecular Weight379.75 g/mol
Exact Mass379.00
IUPAC NameN-[4-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1)C(F)(F)F
InChIInChI=1S/C13H9ClF3N3O3S/c14-11-6-5-10(7-18-11)24(22,23)20-9-3-1-8(2-4-9)19-12(21)13(15,16)17/h1-7,20H,(H,19,21)
InChIKeyICHDHWGPLCAHQL-UHFFFAOYSA-N
XLogP3.04
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.75
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-phenylpyridine-3-sulfonamide
CID 4729892
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 1013172
3-[(6-chloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 7938689
[3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]urea
CID 36510490
4-[(6-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide
CID 2683843
6-chloro-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide
CID 4729839
6-chloro-N-(3-iodo-4-methylphenyl)pyridine-3-sulfonamide
CID 26950537
4-chloro-N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 56532242
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 1244336
6-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-sulfonamide
CID 110303737
5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-iodobenzoic acid
CID 103962654

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide (CID 110303473) is N-[4-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide is O=C(Nc1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1)C(F)(F)F.
What is the InChIKey of N-[4-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is ICHDHWGPLCAHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N3O3S/c14-11-6-5-10(7-18-11)24(22,23)20-9-3-1-8(2-4-9)19-12(21)13(15,16)17/h1-7,20H,(H,19,21).
What are the key properties of N-[4-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide?
N-[4-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 379.75 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 110303473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).