4-chloro-N,N-dipropyl-3-(trifluoromethyl)benzenesulfonamide

C13H17ClF3NO2S — CID 134017324

IUPAC4-chloro-N,N-dipropyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H17ClF3NO2S/c1-3-7-18(8-4-2)21(19,20)10-5-6-12(14)11(9-10)13(15,16)17/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyPYJMPHYIZAEENW-UHFFFAOYSA-N
MW343.80 g/mol
LogP4.17
Rot. Bonds6

About 4-chloro-N,N-dipropyl-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N,N-dipropyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 134017324) has the molecular formula C13H17ClF3NO2S and a molecular weight of 343.80 g/mol. Its IUPAC name is 4-chloro-N,N-dipropyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N,N-dipropyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID134017324
Molecular FormulaC13H17ClF3NO2S
Molecular Weight343.80 g/mol
Exact Mass343.06
IUPAC Name4-chloro-N,N-dipropyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H17ClF3NO2S/c1-3-7-18(8-4-2)21(19,20)10-5-6-12(14)11(9-10)13(15,16)17/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyPYJMPHYIZAEENW-UHFFFAOYSA-N
XLogP4.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.80
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-propylamino]acetate
CID 55854831
N-(2-aminoethyl)-4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 62687721
4-chloro-N-(2-hydroxyethyl)-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide
CID 111117899
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
2-[4-[1-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-propylamino]propan-2-ylsulfanyl]-2-methylphenoxy]acetic acid
CID 68745823
4-amino-N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 170459200
4-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
CID 46557060
4-(dipropylsulfamoyl)benzenesulfonyl chloride
CID 154093021
methyl 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-propan-2-ylamino]acetate
CID 78878000
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 46677366
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 30329404
2,2,2-trifluoroethyl 4-chloro-3-(trifluoromethyl)benzenesulfonate
CID 134017333

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dipropyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N,N-dipropyl-3-(trifluoromethyl)benzenesulfonamide (CID 134017324) is 4-chloro-N,N-dipropyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N,N-dipropyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N,N-dipropyl-3-(trifluoromethyl)benzenesulfonamide is CCCN(CCC)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N,N-dipropyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PYJMPHYIZAEENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3NO2S/c1-3-7-18(8-4-2)21(19,20)10-5-6-12(14)11(9-10)13(15,16)17/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 4-chloro-N,N-dipropyl-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N,N-dipropyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 343.80 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dipropyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 134017324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).