2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C10H10ClF3N2O3S — CID 78785998

IUPAC2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(N)=O
InChIInChI=1S/C10H10ClF3N2O3S/c1-5(9(15)17)16-20(18,19)8-4-6(10(12,13)14)2-3-7(8)11/h2-5,16H,1H3,(H2,15,17)
InChIKeyKIQIZMUUSISMFL-UHFFFAOYSA-N
MW330.72 g/mol
LogP1.51
Rot. Bonds4

About 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]propanamide

2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 78785998) has the molecular formula C10H10ClF3N2O3S and a molecular weight of 330.72 g/mol. Its IUPAC name is 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID78785998
Molecular FormulaC10H10ClF3N2O3S
Molecular Weight330.72 g/mol
Exact Mass330.01
IUPAC Name2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(N)=O
InChIInChI=1S/C10H10ClF3N2O3S/c1-5(9(15)17)16-20(18,19)8-4-6(10(12,13)14)2-3-7(8)11/h2-5,16H,1H3,(H2,15,17)
InChIKeyKIQIZMUUSISMFL-UHFFFAOYSA-N
XLogP1.51
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.72
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpropanamide
CID 8802505
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 43240869
2-chloro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 2412388
5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide
CID 2101092
2-[(2-chloro-4-methylphenyl)sulfonylamino]propanamide
CID 75841470
2-chloro-N-(1-cyclohexylethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 3311116
1-tert-butyl-3-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylurea
CID 90007957
N-[2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]acetamide
CID 3824070
N-(2-amino-1-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119986603
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-4-methylsulfanylbutanoic acid
CID 3856640
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-phenylpropanoate
CID 3406154
N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988016

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 78785998) is 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]propanamide is CC(NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(N)=O.
What is the InChIKey of 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is KIQIZMUUSISMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O3S/c1-5(9(15)17)16-20(18,19)8-4-6(10(12,13)14)2-3-7(8)11/h2-5,16H,1H3,(H2,15,17).
What are the key properties of 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 330.72 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 78785998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).