4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide

C17H19F3N4O4S — CID 71808051

IUPAC4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
SMILESO=C(NCCn1ccc(C(F)(F)F)n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H19F3N4O4S/c18-17(19,20)15-5-7-23(22-15)8-6-21-16(25)13-1-3-14(4-2-13)29(26,27)24-9-11-28-12-10-24/h1-5,7H,6,8-12H2,(H,21,25)
InChIKeyHHKFCOBRELGCES-UHFFFAOYSA-N
MW432.42 g/mol
LogP1.35
Rot. Bonds6

About 4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide

4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide (PubChem CID 71808051) has the molecular formula C17H19F3N4O4S and a molecular weight of 432.42 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
PubChem CID71808051
Molecular FormulaC17H19F3N4O4S
Molecular Weight432.42 g/mol
Exact Mass432.11
IUPAC Name4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
SMILESO=C(NCCn1ccc(C(F)(F)F)n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H19F3N4O4S/c18-17(19,20)15-5-7-23(22-15)8-6-21-16(25)13-1-3-14(4-2-13)29(26,27)24-9-11-28-12-10-24/h1-5,7H,6,8-12H2,(H,21,25)
InChIKeyHHKFCOBRELGCES-UHFFFAOYSA-N
XLogP1.35
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide (CID 71808051) is 4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide is O=C(NCCn1ccc(C(F)(F)F)n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide?
The InChIKey is HHKFCOBRELGCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O4S/c18-17(19,20)15-5-7-23(22-15)8-6-21-16(25)13-1-3-14(4-2-13)29(26,27)24-9-11-28-12-10-24/h1-5,7H,6,8-12H2,(H,21,25).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide?
4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide has a molecular weight of 432.42 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 71808051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).