4-chloro-3-methylsulfonyl-N-(2,2,2-trifluoroethoxy)benzamide

C10H9ClF3NO4S — CID 81342910

IUPAC4-chloro-3-methylsulfonyl-N-(2,2,2-trifluoroethoxy)benzamide
SMILESCS(=O)(=O)c1cc(C(=O)NOCC(F)(F)F)ccc1Cl
InChIInChI=1S/C10H9ClF3NO4S/c1-20(17,18)8-4-6(2-3-7(8)11)9(16)15-19-5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeyWRHZYFDFGCBTGB-UHFFFAOYSA-N
MW331.70 g/mol
LogP1.97
Rot. Bonds4

About 4-chloro-3-methylsulfonyl-N-(2,2,2-trifluoroethoxy)benzamide

4-chloro-3-methylsulfonyl-N-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 81342910) has the molecular formula C10H9ClF3NO4S and a molecular weight of 331.70 g/mol. Its IUPAC name is 4-chloro-3-methylsulfonyl-N-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name4-chloro-3-methylsulfonyl-N-(2,2,2-trifluoroethoxy)benzamide
PubChem CID81342910
Molecular FormulaC10H9ClF3NO4S
Molecular Weight331.70 g/mol
Exact Mass330.99
IUPAC Name4-chloro-3-methylsulfonyl-N-(2,2,2-trifluoroethoxy)benzamide
SMILESCS(=O)(=O)c1cc(C(=O)NOCC(F)(F)F)ccc1Cl
InChIInChI=1S/C10H9ClF3NO4S/c1-20(17,18)8-4-6(2-3-7(8)11)9(16)15-19-5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeyWRHZYFDFGCBTGB-UHFFFAOYSA-N
XLogP1.97
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.70
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-3-methylsulfonyl-N-(2,2,2-trifluoroethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(2-methylpropoxy)-3-methylsulfonylbenzamide
CID 115409695
4-chloro-3-methylsulfonylbenzohydrazide
CID 43091103
3-chloro-4-fluoro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81435190
4-chloro-3-(2,2,2-trifluoroethoxysulfamoyl)benzoic acid
CID 82706951
3-[(4-chloro-3-methylsulfonylbenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368933
3-[(4-chloro-3-methylsulfonylbenzoyl)amino]-3-methylbutanoic acid
CID 64670702
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylbenzamide
CID 43500892
3-hydroxy-4-methyl-N-(2,2,2-trifluoroethoxy)benzamide
CID 82722087
methyl 2-[(4-chloro-3-methylsulfonylbenzoyl)amino]propanoate
CID 60638166
4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfonylbenzamide
CID 103769758
4-chloro-N-[(2S)-2-hydroxypropyl]-3-methylsulfonylbenzamide
CID 83059203
methyl 2-[(4-chloro-3-methylsulfonylbenzoyl)amino]-4-methylpentanoate
CID 4825679

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methylsulfonyl-N-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 4-chloro-3-methylsulfonyl-N-(2,2,2-trifluoroethoxy)benzamide (CID 81342910) is 4-chloro-3-methylsulfonyl-N-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 4-chloro-3-methylsulfonyl-N-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 4-chloro-3-methylsulfonyl-N-(2,2,2-trifluoroethoxy)benzamide is CS(=O)(=O)c1cc(C(=O)NOCC(F)(F)F)ccc1Cl.
What is the InChIKey of 4-chloro-3-methylsulfonyl-N-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is WRHZYFDFGCBTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO4S/c1-20(17,18)8-4-6(2-3-7(8)11)9(16)15-19-5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of 4-chloro-3-methylsulfonyl-N-(2,2,2-trifluoroethoxy)benzamide?
4-chloro-3-methylsulfonyl-N-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 331.70 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methylsulfonyl-N-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 81342910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).