N-[2-[N-(benzenesulfonyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]ethyl]acetamide

C19H18F6N2O4S — CID 72722445

IUPACN-[2-[N-(benzenesulfonyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]ethyl]acetamide
SMILESCC(=O)NCCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H18F6N2O4S/c1-13(28)26-11-12-27(32(30,31)16-5-3-2-4-6-16)15-9-7-14(8-10-15)17(29,18(20,21)22)19(23,24)25/h2-10,29H,11-12H2,1H3,(H,26,28)
InChIKeyZOTCGJSUBOIQLX-UHFFFAOYSA-N
MW484.42 g/mol
LogP3.33
Rot. Bonds7

About N-[2-[N-(benzenesulfonyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]ethyl]acetamide

N-[2-[N-(benzenesulfonyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]ethyl]acetamide (PubChem CID 72722445) has the molecular formula C19H18F6N2O4S and a molecular weight of 484.42 g/mol. Its IUPAC name is N-[2-[N-(benzenesulfonyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[N-(benzenesulfonyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]ethyl]acetamide
PubChem CID72722445
Molecular FormulaC19H18F6N2O4S
Molecular Weight484.42 g/mol
Exact Mass484.09
IUPAC NameN-[2-[N-(benzenesulfonyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]ethyl]acetamide
SMILESCC(=O)NCCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H18F6N2O4S/c1-13(28)26-11-12-27(32(30,31)16-5-3-2-4-6-16)15-9-7-14(8-10-15)17(29,18(20,21)22)19(23,24)25/h2-10,29H,11-12H2,1H3,(H,26,28)
InChIKeyZOTCGJSUBOIQLX-UHFFFAOYSA-N
XLogP3.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[N-(benzenesulfonyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]ethyl]acetamide?
The IUPAC name of N-[2-[N-(benzenesulfonyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]ethyl]acetamide (CID 72722445) is N-[2-[N-(benzenesulfonyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]ethyl]acetamide.
What is the SMILES notation for N-[2-[N-(benzenesulfonyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]ethyl]acetamide?
The canonical SMILES for N-[2-[N-(benzenesulfonyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]ethyl]acetamide is CC(=O)NCCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-[N-(benzenesulfonyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]ethyl]acetamide?
The InChIKey is ZOTCGJSUBOIQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6N2O4S/c1-13(28)26-11-12-27(32(30,31)16-5-3-2-4-6-16)15-9-7-14(8-10-15)17(29,18(20,21)22)19(23,24)25/h2-10,29H,11-12H2,1H3,(H,26,28).
What are the key properties of N-[2-[N-(benzenesulfonyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]ethyl]acetamide?
N-[2-[N-(benzenesulfonyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]ethyl]acetamide has a molecular weight of 484.42 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-(benzenesulfonyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]ethyl]acetamide is sourced from PubChem (CID 72722445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).