2-chloro-N-propyl-5-(trifluoromethyl)benzenesulfonamide

C10H11ClF3NO2S — CID 2416398

IUPAC2-chloro-N-propyl-5-(trifluoromethyl)benzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H11ClF3NO2S/c1-2-5-15-18(16,17)9-6-7(10(12,13)14)3-4-8(9)11/h3-4,6,15H,2,5H2,1H3
InChIKeyCHIFYADDVQIUFI-UHFFFAOYSA-N
MW301.72 g/mol
LogP3.05
Rot. Bonds4

About 2-chloro-N-propyl-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-propyl-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 2416398) has the molecular formula C10H11ClF3NO2S and a molecular weight of 301.72 g/mol. Its IUPAC name is 2-chloro-N-propyl-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-propyl-5-(trifluoromethyl)benzenesulfonamide
PubChem CID2416398
Molecular FormulaC10H11ClF3NO2S
Molecular Weight301.72 g/mol
Exact Mass301.02
IUPAC Name2-chloro-N-propyl-5-(trifluoromethyl)benzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H11ClF3NO2S/c1-2-5-15-18(16,17)9-6-7(10(12,13)14)3-4-8(9)11/h3-4,6,15H,2,5H2,1H3
InChIKeyCHIFYADDVQIUFI-UHFFFAOYSA-N
XLogP3.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.72
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propyl-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-propyl-5-(trifluoromethyl)benzenesulfonamide (CID 2416398) is 2-chloro-N-propyl-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-propyl-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-propyl-5-(trifluoromethyl)benzenesulfonamide is CCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-propyl-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CHIFYADDVQIUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO2S/c1-2-5-15-18(16,17)9-6-7(10(12,13)14)3-4-8(9)11/h3-4,6,15H,2,5H2,1H3.
What are the key properties of 2-chloro-N-propyl-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-propyl-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 301.72 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propyl-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2416398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).