N-[3-chloro-5-(trifluoromethyl)phenyl]propane-2-sulfonamide

C10H11ClF3NO2S — CID 116700912

IUPACN-[3-chloro-5-(trifluoromethyl)phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C10H11ClF3NO2S/c1-6(2)18(16,17)15-9-4-7(10(12,13)14)3-8(11)5-9/h3-6,15H,1-2H3
InChIKeyRHZUZWFGIONUDE-UHFFFAOYSA-N
MW301.72 g/mol
LogP3.51
Rot. Bonds3

About N-[3-chloro-5-(trifluoromethyl)phenyl]propane-2-sulfonamide

N-[3-chloro-5-(trifluoromethyl)phenyl]propane-2-sulfonamide (PubChem CID 116700912) has the molecular formula C10H11ClF3NO2S and a molecular weight of 301.72 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)phenyl]propane-2-sulfonamide
PubChem CID116700912
Molecular FormulaC10H11ClF3NO2S
Molecular Weight301.72 g/mol
Exact Mass301.02
IUPAC NameN-[3-chloro-5-(trifluoromethyl)phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C10H11ClF3NO2S/c1-6(2)18(16,17)15-9-4-7(10(12,13)14)3-8(11)5-9/h3-6,15H,1-2H3
InChIKeyRHZUZWFGIONUDE-UHFFFAOYSA-N
XLogP3.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.72
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)phenyl]propane-2-sulfonamide?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)phenyl]propane-2-sulfonamide (CID 116700912) is N-[3-chloro-5-(trifluoromethyl)phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)phenyl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)phenyl]propane-2-sulfonamide?
The InChIKey is RHZUZWFGIONUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO2S/c1-6(2)18(16,17)15-9-4-7(10(12,13)14)3-8(11)5-9/h3-6,15H,1-2H3.
What are the key properties of N-[3-chloro-5-(trifluoromethyl)phenyl]propane-2-sulfonamide?
N-[3-chloro-5-(trifluoromethyl)phenyl]propane-2-sulfonamide has a molecular weight of 301.72 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)phenyl]propane-2-sulfonamide is sourced from PubChem (CID 116700912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).