ethane;4-prop-1-en-2-yl-N-(trifluoromethylsulfanyl)benzenesulfonamide

C12H16F3NO2S2 — CID 144868004

IUPACethane;4-prop-1-en-2-yl-N-(trifluoromethylsulfanyl)benzenesulfonamide
SMILESC=C(C)c1ccc(S(=O)(=O)NSC(F)(F)F)cc1.CC
InChIInChI=1S/C10H10F3NO2S2.C2H6/c1-7(2)8-3-5-9(6-4-8)18(15,16)14-17-10(11,12)13;1-2/h3-6,14H,1H2,2H3;1-2H3
InChIKeyRUJKDVFYVFEPTN-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.19
Rot. Bonds4

About ethane;4-prop-1-en-2-yl-N-(trifluoromethylsulfanyl)benzenesulfonamide

ethane;4-prop-1-en-2-yl-N-(trifluoromethylsulfanyl)benzenesulfonamide (PubChem CID 144868004) has the molecular formula C12H16F3NO2S2 and a molecular weight of 327.39 g/mol. Its IUPAC name is ethane;4-prop-1-en-2-yl-N-(trifluoromethylsulfanyl)benzenesulfonamide.

Molecular Properties

Compound Nameethane;4-prop-1-en-2-yl-N-(trifluoromethylsulfanyl)benzenesulfonamide
PubChem CID144868004
Molecular FormulaC12H16F3NO2S2
Molecular Weight327.39 g/mol
Exact Mass327.06
IUPAC Nameethane;4-prop-1-en-2-yl-N-(trifluoromethylsulfanyl)benzenesulfonamide
SMILESC=C(C)c1ccc(S(=O)(=O)NSC(F)(F)F)cc1.CC
InChIInChI=1S/C10H10F3NO2S2.C2H6/c1-7(2)8-3-5-9(6-4-8)18(15,16)14-17-10(11,12)13;1-2/h3-6,14H,1H2,2H3;1-2H3
InChIKeyRUJKDVFYVFEPTN-UHFFFAOYSA-N
XLogP4.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;4-prop-1-en-2-yl-N-(trifluoromethylsulfanyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethenyl-N-(trifluoromethylsulfanyl)benzenesulfonamide;methanol
CID 170699603
CID 88815363
CID 88815363
sodium 4-prop-1-en-2-ylbenzenesulfonate
CID 23696519
6-prop-1-en-2-yl-N-(trifluoromethylsulfonyl)naphthalene-2-sulfonamide
CID 139422293
1-propan-2-ylsulfonyl-4-prop-1-en-2-ylbenzene
CID 89343699
2,2,2-trifluoro-1-(4-prop-1-en-2-ylphenyl)ethanone
CID 45081112
4-methyl-N-[(Z)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide
CID 102442285
4-fluoro-N-prop-1-en-2-ylbenzenesulfonamide
CID 175173681
1-(1-nitrosoethenyl)-4-prop-1-en-2-ylbenzene
CID 166919662
N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide
CID 16723470
4-methyl-N-[(Z)-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-en-2-ylidene]amino]benzenesulfonamide
CID 10926847
2,2-difluoro-3-(4-prop-1-en-2-ylbenzoyl)oxypropane-1-sulfonic acid
CID 89309614

Frequently Asked Questions

What is the IUPAC name of ethane;4-prop-1-en-2-yl-N-(trifluoromethylsulfanyl)benzenesulfonamide?
The IUPAC name of ethane;4-prop-1-en-2-yl-N-(trifluoromethylsulfanyl)benzenesulfonamide (CID 144868004) is ethane;4-prop-1-en-2-yl-N-(trifluoromethylsulfanyl)benzenesulfonamide.
What is the SMILES notation for ethane;4-prop-1-en-2-yl-N-(trifluoromethylsulfanyl)benzenesulfonamide?
The canonical SMILES for ethane;4-prop-1-en-2-yl-N-(trifluoromethylsulfanyl)benzenesulfonamide is C=C(C)c1ccc(S(=O)(=O)NSC(F)(F)F)cc1.CC.
What is the InChIKey of ethane;4-prop-1-en-2-yl-N-(trifluoromethylsulfanyl)benzenesulfonamide?
The InChIKey is RUJKDVFYVFEPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2S2.C2H6/c1-7(2)8-3-5-9(6-4-8)18(15,16)14-17-10(11,12)13;1-2/h3-6,14H,1H2,2H3;1-2H3.
What are the key properties of ethane;4-prop-1-en-2-yl-N-(trifluoromethylsulfanyl)benzenesulfonamide?
ethane;4-prop-1-en-2-yl-N-(trifluoromethylsulfanyl)benzenesulfonamide has a molecular weight of 327.39 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-prop-1-en-2-yl-N-(trifluoromethylsulfanyl)benzenesulfonamide is sourced from PubChem (CID 144868004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).