3,4,5-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide

C12H15F3N2O3S — CID 63862461

IUPAC3,4,5-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
SMILESCC(C)(CNC(=O)c1cc(F)c(F)c(F)c1)NS(C)(=O)=O
InChIInChI=1S/C12H15F3N2O3S/c1-12(2,17-21(3,19)20)6-16-11(18)7-4-8(13)10(15)9(14)5-7/h4-5,17H,6H2,1-3H3,(H,16,18)
InChIKeyMZPVUVZMRAUMAM-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.16
Rot. Bonds5

About 3,4,5-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide

3,4,5-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide (PubChem CID 63862461) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
PubChem CID63862461
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC Name3,4,5-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
SMILESCC(C)(CNC(=O)c1cc(F)c(F)c(F)c1)NS(C)(=O)=O
InChIInChI=1S/C12H15F3N2O3S/c1-12(2,17-21(3,19)20)6-16-11(18)7-4-8(13)10(15)9(14)5-7/h4-5,17H,6H2,1-3H3,(H,16,18)
InChIKeyMZPVUVZMRAUMAM-UHFFFAOYSA-N
XLogP1.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbenzamide
CID 63862642
4-amino-3,5-dichloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 82813067
2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide
CID 63862460
2,2-dimethyl-3-[(3,4,5-trifluorobenzoyl)amino]propanoic acid
CID 81369137
2-fluoro-4-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 103941340
N-(4-amino-2,2-dimethylbutyl)-3,4,5-trifluorobenzamide
CID 106139619
3-chloro-4-iodo-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 103736181
5-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide
CID 63865625
4-cyano-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 63866133
3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-2-(methylamino)pyridine-4-carboxamide
CID 105386402
N-[2-(chloromethyl)-2-ethylbutyl]-3,4,5-trifluorobenzamide
CID 106253344
5-chloro-6-hydrazinyl-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide
CID 63861191

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide?
The IUPAC name of 3,4,5-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide (CID 63862461) is 3,4,5-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide is CC(C)(CNC(=O)c1cc(F)c(F)c(F)c1)NS(C)(=O)=O.
What is the InChIKey of 3,4,5-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide?
The InChIKey is MZPVUVZMRAUMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c1-12(2,17-21(3,19)20)6-16-11(18)7-4-8(13)10(15)9(14)5-7/h4-5,17H,6H2,1-3H3,(H,16,18).
What are the key properties of 3,4,5-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide?
3,4,5-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide has a molecular weight of 324.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide is sourced from PubChem (CID 63862461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).