N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-4-(trifluoromethyl)benzenesulfonamide

C19H14F3N5O2S — CID 122184281

IUPACN-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCn1cc(-c2cnc3ccnc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)c3c2)cn1
InChIInChI=1S/C19H14F3N5O2S/c1-27-11-13(10-25-27)12-8-16-17(24-9-12)6-7-23-18(16)26-30(28,29)15-4-2-14(3-5-15)19(20,21)22/h2-11H,1H3,(H,23,26)
InChIKeyMBAPKSZKOYUABC-UHFFFAOYSA-N
MW433.42 g/mol
LogP3.85
Rot. Bonds4

About N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-4-(trifluoromethyl)benzenesulfonamide

N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 122184281) has the molecular formula C19H14F3N5O2S and a molecular weight of 433.42 g/mol. Its IUPAC name is N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID122184281
Molecular FormulaC19H14F3N5O2S
Molecular Weight433.42 g/mol
Exact Mass433.08
IUPAC NameN-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCn1cc(-c2cnc3ccnc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)c3c2)cn1
InChIInChI=1S/C19H14F3N5O2S/c1-27-11-13(10-25-27)12-8-16-17(24-9-12)6-7-23-18(16)26-30(28,29)15-4-2-14(3-5-15)19(20,21)22/h2-11H,1H3,(H,23,26)
InChIKeyMBAPKSZKOYUABC-UHFFFAOYSA-N
XLogP3.85
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-4-(trifluoromethyl)benzenesulfonamide (CID 122184281) is N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-4-(trifluoromethyl)benzenesulfonamide is Cn1cc(-c2cnc3ccnc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)c3c2)cn1.
What is the InChIKey of N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MBAPKSZKOYUABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O2S/c1-27-11-13(10-25-27)12-8-16-17(24-9-12)6-7-23-18(16)26-30(28,29)15-4-2-14(3-5-15)19(20,21)22/h2-11H,1H3,(H,23,26).
What are the key properties of N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-4-(trifluoromethyl)benzenesulfonamide?
N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 433.42 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 122184281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).