N-[5-(2-chlorophenyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

C18H12ClF3N2O2S — CID 11575179

IUPACN-[5-(2-chlorophenyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccccc2Cl)cn1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12ClF3N2O2S/c19-16-7-2-1-6-15(16)12-8-9-17(23-11-12)24-27(25,26)14-5-3-4-13(10-14)18(20,21)22/h1-11H,(H,23,24)
InChIKeyRKGQGUIZPNSVRN-UHFFFAOYSA-N
MW412.82 g/mol
LogP5.22
Rot. Bonds4

About N-[5-(2-chlorophenyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

N-[5-(2-chlorophenyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 11575179) has the molecular formula C18H12ClF3N2O2S and a molecular weight of 412.82 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID11575179
Molecular FormulaC18H12ClF3N2O2S
Molecular Weight412.82 g/mol
Exact Mass412.03
IUPAC NameN-[5-(2-chlorophenyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccccc2Cl)cn1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12ClF3N2O2S/c19-16-7-2-1-6-15(16)12-8-9-17(23-11-12)24-27(25,26)14-5-3-4-13(10-14)18(20,21)22/h1-11H,(H,23,24)
InChIKeyRKGQGUIZPNSVRN-UHFFFAOYSA-N
XLogP5.22
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.82
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[5-(2-chlorophenyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 11575179) is N-[5-(2-chlorophenyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(-c2ccccc2Cl)cn1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[5-(2-chlorophenyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RKGQGUIZPNSVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N2O2S/c19-16-7-2-1-6-15(16)12-8-9-17(23-11-12)24-27(25,26)14-5-3-4-13(10-14)18(20,21)22/h1-11H,(H,23,24).
What are the key properties of N-[5-(2-chlorophenyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[5-(2-chlorophenyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 412.82 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 11575179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).