N,N-bis(prop-2-enyl)-4-(trifluoromethoxy)benzenesulfonamide

C13H14F3NO3S — CID 17154273

IUPACN,N-bis(prop-2-enyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO3S/c1-3-9-17(10-4-2)21(18,19)12-7-5-11(6-8-12)20-13(14,15)16/h3-8H,1-2,9-10H2
InChIKeySSXLXBHEGGADDS-UHFFFAOYSA-N
MW321.32 g/mol
LogP2.95
Rot. Bonds7

About N,N-bis(prop-2-enyl)-4-(trifluoromethoxy)benzenesulfonamide

N,N-bis(prop-2-enyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 17154273) has the molecular formula C13H14F3NO3S and a molecular weight of 321.32 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID17154273
Molecular FormulaC13H14F3NO3S
Molecular Weight321.32 g/mol
Exact Mass321.06
IUPAC NameN,N-bis(prop-2-enyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO3S/c1-3-9-17(10-4-2)21(18,19)12-7-5-11(6-8-12)20-13(14,15)16/h3-8H,1-2,9-10H2
InChIKeySSXLXBHEGGADDS-UHFFFAOYSA-N
XLogP2.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide
CID 17154292
N-fluoro-4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]sulfonylbenzenesulfonamide
CID 57337680
4-[bis(prop-2-enyl)sulfamoyl]benzoic acid
CID 2049576
N-butyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide
CID 71107488
N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115622115
4-[(E)-prop-1-enyl]-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 167259008
N-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide
CID 55103943
4-methoxy-N-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 112787907
N-(2-bromobutyl)-N-propyl-4-(trifluoromethoxy)benzenesulfonamide
CID 58713029
2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]ethyl trifluoromethanesulfonate
CID 44632313
4-isocyanato-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 11334929
2-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]acetic acid
CID 43440466

Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N,N-bis(prop-2-enyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 17154273) is N,N-bis(prop-2-enyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N,N-bis(prop-2-enyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N,N-bis(prop-2-enyl)-4-(trifluoromethoxy)benzenesulfonamide is C=CCN(CC=C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N,N-bis(prop-2-enyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is SSXLXBHEGGADDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3S/c1-3-9-17(10-4-2)21(18,19)12-7-5-11(6-8-12)20-13(14,15)16/h3-8H,1-2,9-10H2.
What are the key properties of N,N-bis(prop-2-enyl)-4-(trifluoromethoxy)benzenesulfonamide?
N,N-bis(prop-2-enyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 321.32 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 17154273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).