3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide

C13H16ClF3N2O3S — CID 51125196

IUPAC3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
SMILESCN(CCC(F)(F)F)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H16ClF3N2O3S/c1-19(8-6-13(15,16)17)12(20)5-7-18-23(21,22)11-4-2-3-10(14)9-11/h2-4,9,18H,5-8H2,1H3
InChIKeyAJAPLAHUMOKFLZ-UHFFFAOYSA-N
MW372.80 g/mol
LogP2.42
Rot. Bonds7

About 3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide

3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide (PubChem CID 51125196) has the molecular formula C13H16ClF3N2O3S and a molecular weight of 372.80 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
PubChem CID51125196
Molecular FormulaC13H16ClF3N2O3S
Molecular Weight372.80 g/mol
Exact Mass372.05
IUPAC Name3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
SMILESCN(CCC(F)(F)F)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H16ClF3N2O3S/c1-19(8-6-13(15,16)17)12(20)5-7-18-23(21,22)11-4-2-3-10(14)9-11/h2-4,9,18H,5-8H2,1H3
InChIKeyAJAPLAHUMOKFLZ-UHFFFAOYSA-N
XLogP2.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.80
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chlorophenyl)sulfonylamino]-N-(2-cyanoethyl)-N-methylpropanamide
CID 78797988
3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 51162789
N-[(2-chloro-6-fluorophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 31182434
3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 31152143
N-butyl-3-[(3-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 35825092
N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 55348829
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
3-[methyl-[3-(naphthalen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
CID 119232709
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[(2-hydroxyphenyl)methyl]-N-methylpropanamide
CID 55866324
N-[(3-chlorophenyl)methyl]-3-[(2-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 55349042
3-[(3-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide
CID 31443271

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide (CID 51125196) is 3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide is CN(CCC(F)(F)F)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide?
The InChIKey is AJAPLAHUMOKFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O3S/c1-19(8-6-13(15,16)17)12(20)5-7-18-23(21,22)11-4-2-3-10(14)9-11/h2-4,9,18H,5-8H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide?
3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide has a molecular weight of 372.80 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide is sourced from PubChem (CID 51125196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).