4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide

C10H11ClF3NO2S — CID 2443168

IUPAC4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H11ClF3NO2S/c1-2-5-15-18(16,17)7-3-4-9(11)8(6-7)10(12,13)14/h3-4,6,15H,2,5H2,1H3
InChIKeyZNAGVSROQXLOQF-UHFFFAOYSA-N
MW301.72 g/mol
LogP3.05
Rot. Bonds4

About 4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 2443168) has the molecular formula C10H11ClF3NO2S and a molecular weight of 301.72 g/mol. Its IUPAC name is 4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID2443168
Molecular FormulaC10H11ClF3NO2S
Molecular Weight301.72 g/mol
Exact Mass301.02
IUPAC Name4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H11ClF3NO2S/c1-2-5-15-18(16,17)7-3-4-9(11)8(6-7)10(12,13)14/h3-4,6,15H,2,5H2,1H3
InChIKeyZNAGVSROQXLOQF-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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Related Compounds

4-chloro-N-[3-(ethylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 43606545
4-chloro-N-[(E)-pent-3-enyl]-3-(trifluoromethyl)benzenesulfonamide
CID 115628739
4-chloro-N-[2-(cyclopropylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 62665527
4-chloro-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 65113160
N-(2-aminobutyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 63730766
N-tert-butyl-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 78777743
N-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 63733158
4-chloro-N-(3-piperidin-1-ium-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 8823983
4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55520974
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 8716905
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 51147527
[4-[[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191347

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide (CID 2443168) is 4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide is CCCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZNAGVSROQXLOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO2S/c1-2-5-15-18(16,17)7-3-4-9(11)8(6-7)10(12,13)14/h3-4,6,15H,2,5H2,1H3.
What are the key properties of 4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-propyl-3-(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 4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2443168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).