N,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide

C13H18F3NO3S — CID 17154292

IUPACN,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO3S/c1-3-9-17(10-4-2)21(18,19)12-7-5-11(6-8-12)20-13(14,15)16/h5-8H,3-4,9-10H2,1-2H3
InChIKeyRPDNYVPQZRJGJT-UHFFFAOYSA-N
MW325.35 g/mol
LogP3.40
Rot. Bonds7

About N,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide

N,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 17154292) has the molecular formula C13H18F3NO3S and a molecular weight of 325.35 g/mol. Its IUPAC name is N,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID17154292
Molecular FormulaC13H18F3NO3S
Molecular Weight325.35 g/mol
Exact Mass325.10
IUPAC NameN,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO3S/c1-3-9-17(10-4-2)21(18,19)12-7-5-11(6-8-12)20-13(14,15)16/h5-8H,3-4,9-10H2,1-2H3
InChIKeyRPDNYVPQZRJGJT-UHFFFAOYSA-N
XLogP3.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide
CID 71107488
N-(2-bromobutyl)-N-propyl-4-(trifluoromethoxy)benzenesulfonamide
CID 58713029
N,N-bis(prop-2-enyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154273
N-fluoro-4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]sulfonylbenzenesulfonamide
CID 57337680
N-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide
CID 55103943
4-(dipropylsulfamoyl)benzenesulfonyl chloride
CID 154093021
N,N-dipropylbenzenesulfonamide
CID 4053954
3-[benzyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 24555949
N,N-diethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]benzenesulfonamide
CID 55463875
N,N-diethyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzenesulfonamide
CID 13078532
N,N-dipropylbenzenesulfonamide;dihydrochloride
CID 142038428
N,N-bis[2-[bis[(4-methoxyphenyl)sulfonyl]amino]ethyl]-4-methoxybenzenesulfonamide
CID 101372665

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide (CID 17154292) is N,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide is CCCN(CCC)S(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is RPDNYVPQZRJGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO3S/c1-3-9-17(10-4-2)21(18,19)12-7-5-11(6-8-12)20-13(14,15)16/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of N,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide?
N,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 325.35 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 17154292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).