N-(4-piperidin-4-yl-2H-chromen-6-yl)-3-(trifluoromethyl)benzenesulfonamide

C21H21F3N2O3S — CID 11407979

IUPACN-(4-piperidin-4-yl-2H-chromen-6-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)C(C1CCNCC1)=CCO2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H21F3N2O3S/c22-21(23,24)15-2-1-3-17(12-15)30(27,28)26-16-4-5-20-19(13-16)18(8-11-29-20)14-6-9-25-10-7-14/h1-5,8,12-14,25-26H,6-7,9-11H2
InChIKeyVFYIXDSCGWVVNA-UHFFFAOYSA-N
MW438.47 g/mol
LogP4.28
Rot. Bonds4

About N-(4-piperidin-4-yl-2H-chromen-6-yl)-3-(trifluoromethyl)benzenesulfonamide

N-(4-piperidin-4-yl-2H-chromen-6-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 11407979) has the molecular formula C21H21F3N2O3S and a molecular weight of 438.47 g/mol. Its IUPAC name is N-(4-piperidin-4-yl-2H-chromen-6-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-piperidin-4-yl-2H-chromen-6-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID11407979
Molecular FormulaC21H21F3N2O3S
Molecular Weight438.47 g/mol
Exact Mass438.12
IUPAC NameN-(4-piperidin-4-yl-2H-chromen-6-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)C(C1CCNCC1)=CCO2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H21F3N2O3S/c22-21(23,24)15-2-1-3-17(12-15)30(27,28)26-16-4-5-20-19(13-16)18(8-11-29-20)14-6-9-25-10-7-14/h1-5,8,12-14,25-26H,6-7,9-11H2
InChIKeyVFYIXDSCGWVVNA-UHFFFAOYSA-N
XLogP4.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-4-yl-2H-chromen-6-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4-piperidin-4-yl-2H-chromen-6-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 11407979) is N-(4-piperidin-4-yl-2H-chromen-6-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-piperidin-4-yl-2H-chromen-6-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4-piperidin-4-yl-2H-chromen-6-yl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)C(C1CCNCC1)=CCO2)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-piperidin-4-yl-2H-chromen-6-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VFYIXDSCGWVVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O3S/c22-21(23,24)15-2-1-3-17(12-15)30(27,28)26-16-4-5-20-19(13-16)18(8-11-29-20)14-6-9-25-10-7-14/h1-5,8,12-14,25-26H,6-7,9-11H2.
What are the key properties of N-(4-piperidin-4-yl-2H-chromen-6-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(4-piperidin-4-yl-2H-chromen-6-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 438.47 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-4-yl-2H-chromen-6-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 11407979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).