1-(3,5-dichlorophenyl)-N-(3,3,3-trifluoropropyl)methanesulfonamide

C10H10Cl2F3NO2S — CID 75384497

IUPAC1-(3,5-dichlorophenyl)-N-(3,3,3-trifluoropropyl)methanesulfonamide
SMILESO=S(=O)(Cc1cc(Cl)cc(Cl)c1)NCCC(F)(F)F
InChIInChI=1S/C10H10Cl2F3NO2S/c11-8-3-7(4-9(12)5-8)6-19(17,18)16-2-1-10(13,14)15/h3-5,16H,1-2,6H2
InChIKeyDWGWUPTUVMKENZ-UHFFFAOYSA-N
MW336.16 g/mol
LogP3.37
Rot. Bonds5

About 1-(3,5-dichlorophenyl)-N-(3,3,3-trifluoropropyl)methanesulfonamide

1-(3,5-dichlorophenyl)-N-(3,3,3-trifluoropropyl)methanesulfonamide (PubChem CID 75384497) has the molecular formula C10H10Cl2F3NO2S and a molecular weight of 336.16 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-(3,3,3-trifluoropropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-(3,3,3-trifluoropropyl)methanesulfonamide
PubChem CID75384497
Molecular FormulaC10H10Cl2F3NO2S
Molecular Weight336.16 g/mol
Exact Mass334.98
IUPAC Name1-(3,5-dichlorophenyl)-N-(3,3,3-trifluoropropyl)methanesulfonamide
SMILESO=S(=O)(Cc1cc(Cl)cc(Cl)c1)NCCC(F)(F)F
InChIInChI=1S/C10H10Cl2F3NO2S/c11-8-3-7(4-9(12)5-8)6-19(17,18)16-2-1-10(13,14)15/h3-5,16H,1-2,6H2
InChIKeyDWGWUPTUVMKENZ-UHFFFAOYSA-N
XLogP3.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,5-dichlorophenyl)-N-(3,3,3-trifluoropropyl)methanesulfonamide 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

1-(3,5-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide;hydrochloride
CID 119972960
1-(3,5-dichlorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide
CID 119964749
1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
CID 120717866
2,5-dichloro-3-(3,3,3-trifluoropropylsulfamoyl)benzoic acid
CID 63225908
N-[(3,5-dichlorophenyl)methyl]-5,5,5-trifluoropentan-1-amine
CID 115491413
1-(3,5-dichlorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]methanesulfonamide;hydrochloride
CID 120720466
1-[4-(aminomethyl)phenyl]-N-(5,5,5-trifluoropentyl)methanesulfonamide
CID 115517870
1-(3,5-dichlorophenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 119968379
2-(methylamino)-N-(3,3,3-trifluoropropyl)ethanesulfonamide
CID 63227903
3-chloro-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide
CID 167920250
2-[(3,5-dichlorophenyl)methylamino]-N-methylethanesulfonamide
CID 102674934
N-[1-(aminomethyl)cyclopentyl]-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride
CID 119980708

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-(3,3,3-trifluoropropyl)methanesulfonamide?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-(3,3,3-trifluoropropyl)methanesulfonamide (CID 75384497) is 1-(3,5-dichlorophenyl)-N-(3,3,3-trifluoropropyl)methanesulfonamide.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-(3,3,3-trifluoropropyl)methanesulfonamide?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-(3,3,3-trifluoropropyl)methanesulfonamide is O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NCCC(F)(F)F.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-(3,3,3-trifluoropropyl)methanesulfonamide?
The InChIKey is DWGWUPTUVMKENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F3NO2S/c11-8-3-7(4-9(12)5-8)6-19(17,18)16-2-1-10(13,14)15/h3-5,16H,1-2,6H2.
What are the key properties of 1-(3,5-dichlorophenyl)-N-(3,3,3-trifluoropropyl)methanesulfonamide?
1-(3,5-dichlorophenyl)-N-(3,3,3-trifluoropropyl)methanesulfonamide has a molecular weight of 336.16 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-(3,3,3-trifluoropropyl)methanesulfonamide is sourced from PubChem (CID 75384497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).