2-chloro-N-propan-2-yl-4-(trifluoromethyl)benzenesulfonamide

C10H11ClF3NO2S — CID 23548513

IUPAC2-chloro-N-propan-2-yl-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H11ClF3NO2S/c1-6(2)15-18(16,17)9-4-3-7(5-8(9)11)10(12,13)14/h3-6,15H,1-2H3
InChIKeyAPULRENERSRGAU-UHFFFAOYSA-N
MW301.72 g/mol
LogP3.05
Rot. Bonds3

About 2-chloro-N-propan-2-yl-4-(trifluoromethyl)benzenesulfonamide

2-chloro-N-propan-2-yl-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 23548513) has the molecular formula C10H11ClF3NO2S and a molecular weight of 301.72 g/mol. Its IUPAC name is 2-chloro-N-propan-2-yl-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-propan-2-yl-4-(trifluoromethyl)benzenesulfonamide
PubChem CID23548513
Molecular FormulaC10H11ClF3NO2S
Molecular Weight301.72 g/mol
Exact Mass301.02
IUPAC Name2-chloro-N-propan-2-yl-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H11ClF3NO2S/c1-6(2)15-18(16,17)9-4-3-7(5-8(9)11)10(12,13)14/h3-6,15H,1-2H3
InChIKeyAPULRENERSRGAU-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Chloro-4-(trifluoromethyl)benzenesulfonamide
CID 2773925
2-chloro-N-methyl-5-(trifluoromethyl)benzene-1-sulfonamide
CID 738768
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
N-(4-Chloro-6,6,6-trifluorohexyl)-p-toluenesulfonamide
CID 102232565
2-chloro-N-propyl-5-(trifluoromethyl)benzene-1-sulfonamide
CID 2416398
US12202790, Example 27
CID 146256295
N-(1-chloro-2,2,2-trifluoroethyl)-4-methylbenzenesulfonamide
CID 53260977
4-(2-Aminoethyl)-2-chlorobenzenesulfonyl fluoride
CID 90954501
N-(2-chloro-4,4,4-trifluorobutyl)-4-methylbenzenesulfonamide
CID 135065769
N-[(E)-3-(3-chlorophenyl)prop-2-enyl]-1,1,1-trifluoromethanesulfonamide
CID 135074299
2-Chloro-4-methylbenzene-1-sulfonamide
CID 16787667
2-Chloro-N,4-dimethylbenzene-1-sulfonamide
CID 32673216

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propan-2-yl-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-propan-2-yl-4-(trifluoromethyl)benzenesulfonamide (CID 23548513) is 2-chloro-N-propan-2-yl-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-propan-2-yl-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-propan-2-yl-4-(trifluoromethyl)benzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-N-propan-2-yl-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is APULRENERSRGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO2S/c1-6(2)15-18(16,17)9-4-3-7(5-8(9)11)10(12,13)14/h3-6,15H,1-2H3.
What are the key properties of 2-chloro-N-propan-2-yl-4-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-propan-2-yl-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 301.72 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propan-2-yl-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 23548513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).