N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide

C17H16F3NO4S — CID 71788947

IUPACN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCOc2ccccc21)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO4S/c18-17(19,20)12-4-3-5-13(10-12)26(23,24)21-11-16(22)8-9-25-15-7-2-1-6-14(15)16/h1-7,10,21-22H,8-9,11H2
InChIKeyPRBSSQIHTUIEJW-UHFFFAOYSA-N
MW387.38 g/mol
LogP2.65
Rot. Bonds4

About N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide

N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 71788947) has the molecular formula C17H16F3NO4S and a molecular weight of 387.38 g/mol. Its IUPAC name is N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID71788947
Molecular FormulaC17H16F3NO4S
Molecular Weight387.38 g/mol
Exact Mass387.08
IUPAC NameN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCOc2ccccc21)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO4S/c18-17(19,20)12-4-3-5-13(10-12)26(23,24)21-11-16(22)8-9-25-15-7-2-1-6-14(15)16/h1-7,10,21-22H,8-9,11H2
InChIKeyPRBSSQIHTUIEJW-UHFFFAOYSA-N
XLogP2.65
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 71788947) is N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCC1(O)CCOc2ccccc21)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PRBSSQIHTUIEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO4S/c18-17(19,20)12-4-3-5-13(10-12)26(23,24)21-11-16(22)8-9-25-15-7-2-1-6-14(15)16/h1-7,10,21-22H,8-9,11H2.
What are the key properties of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 387.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71788947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).