N-[5-[2,4-bis(trifluoromethyl)phenyl]-2-pyridinyl]-3-methylbenzenesulfonamide

C20H14F6N2O2S — CID 87679549

IUPACN-[5-[2,4-bis(trifluoromethyl)phenyl]-2-pyridinyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cn2)c1
InChIInChI=1S/C20H14F6N2O2S/c1-12-3-2-4-15(9-12)31(29,30)28-18-8-5-13(11-27-18)16-7-6-14(19(21,22)23)10-17(16)20(24,25)26/h2-11H,1H3,(H,27,28)
InChIKeyWFPFWVIZIPXNSR-UHFFFAOYSA-N
MW460.40 g/mol
LogP5.90
Rot. Bonds4

About N-[5-[2,4-bis(trifluoromethyl)phenyl]-2-pyridinyl]-3-methylbenzenesulfonamide

N-[5-[2,4-bis(trifluoromethyl)phenyl]-2-pyridinyl]-3-methylbenzenesulfonamide (PubChem CID 87679549) has the molecular formula C20H14F6N2O2S and a molecular weight of 460.40 g/mol. Its IUPAC name is N-[5-[2,4-bis(trifluoromethyl)phenyl]-2-pyridinyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[2,4-bis(trifluoromethyl)phenyl]-2-pyridinyl]-3-methylbenzenesulfonamide
PubChem CID87679549
Molecular FormulaC20H14F6N2O2S
Molecular Weight460.40 g/mol
Exact Mass460.07
IUPAC NameN-[5-[2,4-bis(trifluoromethyl)phenyl]-2-pyridinyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cn2)c1
InChIInChI=1S/C20H14F6N2O2S/c1-12-3-2-4-15(9-12)31(29,30)28-18-8-5-13(11-27-18)16-7-6-14(19(21,22)23)10-17(16)20(24,25)26/h2-11H,1H3,(H,27,28)
InChIKeyWFPFWVIZIPXNSR-UHFFFAOYSA-N
XLogP5.90
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.40
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(tert-butylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113030068
N-[6-(4-tert-butylanilino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113018175
3-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 2542050
N-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113024541
3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045894
N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide
CID 3811845
N-[5-(cycloheptylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113030177
3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038018
N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 8519021
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113027064
3,5-dichloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
CID 44586063
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide
CID 3706332

Frequently Asked Questions

What is the IUPAC name of N-[5-[2,4-bis(trifluoromethyl)phenyl]-2-pyridinyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[5-[2,4-bis(trifluoromethyl)phenyl]-2-pyridinyl]-3-methylbenzenesulfonamide (CID 87679549) is N-[5-[2,4-bis(trifluoromethyl)phenyl]-2-pyridinyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-[2,4-bis(trifluoromethyl)phenyl]-2-pyridinyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[5-[2,4-bis(trifluoromethyl)phenyl]-2-pyridinyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cn2)c1.
What is the InChIKey of N-[5-[2,4-bis(trifluoromethyl)phenyl]-2-pyridinyl]-3-methylbenzenesulfonamide?
The InChIKey is WFPFWVIZIPXNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6N2O2S/c1-12-3-2-4-15(9-12)31(29,30)28-18-8-5-13(11-27-18)16-7-6-14(19(21,22)23)10-17(16)20(24,25)26/h2-11H,1H3,(H,27,28).
What are the key properties of N-[5-[2,4-bis(trifluoromethyl)phenyl]-2-pyridinyl]-3-methylbenzenesulfonamide?
N-[5-[2,4-bis(trifluoromethyl)phenyl]-2-pyridinyl]-3-methylbenzenesulfonamide has a molecular weight of 460.40 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2,4-bis(trifluoromethyl)phenyl]-2-pyridinyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 87679549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).