N-methylsulfonyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

C19H14F3NO4S — CID 155214099

IUPACN-methylsulfonyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESCS(=O)(=O)NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C19H14F3NO4S/c1-28(25,26)23-18(24)13-5-10-16-12(11-13)3-2-4-17(16)27-15-8-6-14(7-9-15)19(20,21)22/h2-11H,1H3,(H,23,24)
InChIKeyHOWGIASRFJITIE-UHFFFAOYSA-N
MW409.39 g/mol
LogP4.34
Rot. Bonds4

About N-methylsulfonyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

N-methylsulfonyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (PubChem CID 155214099) has the molecular formula C19H14F3NO4S and a molecular weight of 409.39 g/mol. Its IUPAC name is N-methylsulfonyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-methylsulfonyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
PubChem CID155214099
Molecular FormulaC19H14F3NO4S
Molecular Weight409.39 g/mol
Exact Mass409.06
IUPAC NameN-methylsulfonyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESCS(=O)(=O)NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C19H14F3NO4S/c1-28(25,26)23-18(24)13-5-10-16-12(11-13)3-2-4-17(16)27-15-8-6-14(7-9-15)19(20,21)22/h2-11H,1H3,(H,23,24)
InChIKeyHOWGIASRFJITIE-UHFFFAOYSA-N
XLogP4.34
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The IUPAC name of N-methylsulfonyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (CID 155214099) is N-methylsulfonyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-methylsulfonyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-methylsulfonyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is CS(=O)(=O)NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of N-methylsulfonyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The InChIKey is HOWGIASRFJITIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO4S/c1-28(25,26)23-18(24)13-5-10-16-12(11-13)3-2-4-17(16)27-15-8-6-14(7-9-15)19(20,21)22/h2-11H,1H3,(H,23,24).
What are the key properties of N-methylsulfonyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
N-methylsulfonyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide has a molecular weight of 409.39 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 155214099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).