2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide

C9H8F4N2O3S — CID 62732998

IUPAC2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)C(F)(F)F)ccc1F
InChIInChI=1S/C9H8F4N2O3S/c1-19(17,18)15-7-4-5(2-3-6(7)10)14-8(16)9(11,12)13/h2-4,15H,1H3,(H,14,16)
InChIKeyGLJXMPPOSZNVRN-UHFFFAOYSA-N
MW300.23 g/mol
LogP1.70
Rot. Bonds3

About 2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide

2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide (PubChem CID 62732998) has the molecular formula C9H8F4N2O3S and a molecular weight of 300.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide
PubChem CID62732998
Molecular FormulaC9H8F4N2O3S
Molecular Weight300.23 g/mol
Exact Mass300.02
IUPAC Name2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)C(F)(F)F)ccc1F
InChIInChI=1S/C9H8F4N2O3S/c1-19(17,18)15-7-4-5(2-3-6(7)10)14-8(16)9(11,12)13/h2-4,15H,1H3,(H,14,16)
InChIKeyGLJXMPPOSZNVRN-UHFFFAOYSA-N
XLogP1.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-ethyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]butanamide
CID 79814001
5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
CID 25487071
ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate
CID 60728396
N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-hydroxybutanamide
CID 79201442
2-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-methylbutanamide
CID 43712924
5-[4-fluoro-3-(methanesulfonamido)anilino]-5-oxopentanoic acid
CID 60941392
(2S)-2-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-methylpentanamide;hydrochloride
CID 119702982
4-fluoro-3-(methanesulfonamido)benzoic acid
CID 47002814
5-bromo-N-[4-fluoro-3-(methanesulfonamido)phenyl]thiophene-2-carboxamide
CID 60727246
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(propan-2-ylamino)propanamide
CID 60852910
4-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylbutanamide
CID 80542664
5-(2,2-dimethylpropanoylamino)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-methylthiophene-2-carboxamide
CID 24677265

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide (CID 62732998) is 2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide is CS(=O)(=O)Nc1cc(NC(=O)C(F)(F)F)ccc1F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide?
The InChIKey is GLJXMPPOSZNVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N2O3S/c1-19(17,18)15-7-4-5(2-3-6(7)10)14-8(16)9(11,12)13/h2-4,15H,1H3,(H,14,16).
What are the key properties of 2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide?
2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide has a molecular weight of 300.23 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide is sourced from PubChem (CID 62732998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).