N-butyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide

C14H20F3NO3S — CID 71107488

IUPACN-butyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide
SMILESCCCCN(CCC)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO3S/c1-3-5-11-18(10-4-2)22(19,20)13-8-6-12(7-9-13)21-14(15,16)17/h6-9H,3-5,10-11H2,1-2H3
InChIKeyICUDYVHTDDQEAZ-UHFFFAOYSA-N
MW339.38 g/mol
LogP3.79
Rot. Bonds8

About N-butyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide

N-butyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 71107488) has the molecular formula C14H20F3NO3S and a molecular weight of 339.38 g/mol. Its IUPAC name is N-butyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-butyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID71107488
Molecular FormulaC14H20F3NO3S
Molecular Weight339.38 g/mol
Exact Mass339.11
IUPAC NameN-butyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide
SMILESCCCCN(CCC)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO3S/c1-3-5-11-18(10-4-2)22(19,20)13-8-6-12(7-9-13)21-14(15,16)17/h6-9H,3-5,10-11H2,1-2H3
InChIKeyICUDYVHTDDQEAZ-UHFFFAOYSA-N
XLogP3.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide
CID 17154292
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
3-[benzyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 24555949
4-fluoro-N,N-dihexylbenzenesulfonamide
CID 3650162
4-[butyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791222
N,N-diethyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzenesulfonamide
CID 13078532
N,N-dibutyl-4-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide
CID 2187490
4-(dipropylsulfamoyl)benzenesulfonyl chloride
CID 154093021
N,N-dipropylbenzenesulfonamide
CID 4053954

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-butyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide (CID 71107488) is N-butyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-butyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-butyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide is CCCCN(CCC)S(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-butyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is ICUDYVHTDDQEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO3S/c1-3-5-11-18(10-4-2)22(19,20)13-8-6-12(7-9-13)21-14(15,16)17/h6-9H,3-5,10-11H2,1-2H3.
What are the key properties of N-butyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide?
N-butyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 339.38 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 71107488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).