N-[1,1,1,3,3,3-hexafluoro-2-(4-sulfamoylanilino)propan-2-yl]acetamide

C11H11F6N3O3S — CID 2817490

IUPACN-[1,1,1,3,3,3-hexafluoro-2-(4-sulfamoylanilino)propan-2-yl]acetamide
SMILESCC(=O)NC(Nc1ccc(S(N)(=O)=O)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H11F6N3O3S/c1-6(21)19-9(10(12,13)14,11(15,16)17)20-7-2-4-8(5-3-7)24(18,22)23/h2-5,20H,1H3,(H,19,21)(H2,18,22,23)
InChIKeyBVDZOISAJYQTDX-UHFFFAOYSA-N
MW379.28 g/mol
LogP1.70
Rot. Bonds4

About N-[1,1,1,3,3,3-hexafluoro-2-(4-sulfamoylanilino)propan-2-yl]acetamide

N-[1,1,1,3,3,3-hexafluoro-2-(4-sulfamoylanilino)propan-2-yl]acetamide (PubChem CID 2817490) has the molecular formula C11H11F6N3O3S and a molecular weight of 379.28 g/mol. Its IUPAC name is N-[1,1,1,3,3,3-hexafluoro-2-(4-sulfamoylanilino)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1,1,1,3,3,3-hexafluoro-2-(4-sulfamoylanilino)propan-2-yl]acetamide
PubChem CID2817490
Molecular FormulaC11H11F6N3O3S
Molecular Weight379.28 g/mol
Exact Mass379.04
IUPAC NameN-[1,1,1,3,3,3-hexafluoro-2-(4-sulfamoylanilino)propan-2-yl]acetamide
SMILESCC(=O)NC(Nc1ccc(S(N)(=O)=O)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H11F6N3O3S/c1-6(21)19-9(10(12,13)14,11(15,16)17)20-7-2-4-8(5-3-7)24(18,22)23/h2-5,20H,1H3,(H,19,21)(H2,18,22,23)
InChIKeyBVDZOISAJYQTDX-UHFFFAOYSA-N
XLogP1.70
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-(4-sulfamoylanilino)propan-2-yl]acetamide?
The IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-(4-sulfamoylanilino)propan-2-yl]acetamide (CID 2817490) is N-[1,1,1,3,3,3-hexafluoro-2-(4-sulfamoylanilino)propan-2-yl]acetamide.
What is the SMILES notation for N-[1,1,1,3,3,3-hexafluoro-2-(4-sulfamoylanilino)propan-2-yl]acetamide?
The canonical SMILES for N-[1,1,1,3,3,3-hexafluoro-2-(4-sulfamoylanilino)propan-2-yl]acetamide is CC(=O)NC(Nc1ccc(S(N)(=O)=O)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[1,1,1,3,3,3-hexafluoro-2-(4-sulfamoylanilino)propan-2-yl]acetamide?
The InChIKey is BVDZOISAJYQTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6N3O3S/c1-6(21)19-9(10(12,13)14,11(15,16)17)20-7-2-4-8(5-3-7)24(18,22)23/h2-5,20H,1H3,(H,19,21)(H2,18,22,23).
What are the key properties of N-[1,1,1,3,3,3-hexafluoro-2-(4-sulfamoylanilino)propan-2-yl]acetamide?
N-[1,1,1,3,3,3-hexafluoro-2-(4-sulfamoylanilino)propan-2-yl]acetamide has a molecular weight of 379.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1,1,3,3,3-hexafluoro-2-(4-sulfamoylanilino)propan-2-yl]acetamide is sourced from PubChem (CID 2817490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).