6-amino-N-[5-chloro-6-[2-chloro-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide

C17H11Cl2F3N4O2S — CID 134306511

IUPAC6-amino-N-[5-chloro-6-[2-chloro-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ccc(Cl)c(-c3c(Cl)cccc3C(F)(F)F)n2)n1
InChIInChI=1S/C17H11Cl2F3N4O2S/c18-10-4-1-3-9(17(20,21)22)15(10)16-11(19)7-8-13(25-16)26-29(27,28)14-6-2-5-12(23)24-14/h1-8H,(H2,23,24)(H,25,26)
InChIKeyKLGXGVYXIBMOHQ-UHFFFAOYSA-N
MW463.27 g/mol
LogP4.85
Rot. Bonds4

About 6-amino-N-[5-chloro-6-[2-chloro-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide

6-amino-N-[5-chloro-6-[2-chloro-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide (PubChem CID 134306511) has the molecular formula C17H11Cl2F3N4O2S and a molecular weight of 463.27 g/mol. Its IUPAC name is 6-amino-N-[5-chloro-6-[2-chloro-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[5-chloro-6-[2-chloro-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide
PubChem CID134306511
Molecular FormulaC17H11Cl2F3N4O2S
Molecular Weight463.27 g/mol
Exact Mass461.99
IUPAC Name6-amino-N-[5-chloro-6-[2-chloro-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ccc(Cl)c(-c3c(Cl)cccc3C(F)(F)F)n2)n1
InChIInChI=1S/C17H11Cl2F3N4O2S/c18-10-4-1-3-9(17(20,21)22)15(10)16-11(19)7-8-13(25-16)26-29(27,28)14-6-2-5-12(23)24-14/h1-8H,(H2,23,24)(H,25,26)
InChIKeyKLGXGVYXIBMOHQ-UHFFFAOYSA-N
XLogP4.85
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.27
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-[6-(2-cyclopropylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134344472
6-amino-N-[5-chloro-6-(2-cyclopropylphenyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134306401
6-amino-N-[5-chloro-6-(2,4-dimethylphenyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 146199328
4-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-oxopiperazine-1-carboxylic acid
CID 166706661
N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-2-sulfonamide
CID 134306956
N-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride
CID 134306679
6-fluoro-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134344498
N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-(3-oxopiperazin-1-yl)pyridine-2-sulfonamide
CID 134306410
N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyridine-2-sulfonamide
CID 134344518
4-amino-1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 134306514
3-[[6-[[6-(2,6-dimethylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-ethylamino]propanoic acid
CID 154674709
N-[5-chloro-6-(2-chloro-3-fluorophenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride
CID 134328946

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[5-chloro-6-[2-chloro-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide?
The IUPAC name of 6-amino-N-[5-chloro-6-[2-chloro-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide (CID 134306511) is 6-amino-N-[5-chloro-6-[2-chloro-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide.
What is the SMILES notation for 6-amino-N-[5-chloro-6-[2-chloro-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide?
The canonical SMILES for 6-amino-N-[5-chloro-6-[2-chloro-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide is Nc1cccc(S(=O)(=O)Nc2ccc(Cl)c(-c3c(Cl)cccc3C(F)(F)F)n2)n1.
What is the InChIKey of 6-amino-N-[5-chloro-6-[2-chloro-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide?
The InChIKey is KLGXGVYXIBMOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F3N4O2S/c18-10-4-1-3-9(17(20,21)22)15(10)16-11(19)7-8-13(25-16)26-29(27,28)14-6-2-5-12(23)24-14/h1-8H,(H2,23,24)(H,25,26).
What are the key properties of 6-amino-N-[5-chloro-6-[2-chloro-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide?
6-amino-N-[5-chloro-6-[2-chloro-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide has a molecular weight of 463.27 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[5-chloro-6-[2-chloro-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide is sourced from PubChem (CID 134306511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).