N-[(Z)-1,3-dichloro-1-[3-(trifluoromethyl)phenyl]prop-1-en-2-yl]benzenesulfonamide

C16H12Cl2F3NO2S — CID 11429760

IUPACN-[(Z)-1,3-dichloro-1-[3-(trifluoromethyl)phenyl]prop-1-en-2-yl]benzenesulfonamide
SMILESO=S(=O)(N/C(CCl)=C(\Cl)c1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C16H12Cl2F3NO2S/c17-10-14(22-25(23,24)13-7-2-1-3-8-13)15(18)11-5-4-6-12(9-11)16(19,20)21/h1-9,22H,10H2/b15-14-
InChIKeyVBDVNJUEUYVYKF-PFONDFGASA-N
MW410.24 g/mol
LogP4.83
Rot. Bonds5

About N-[(Z)-1,3-dichloro-1-[3-(trifluoromethyl)phenyl]prop-1-en-2-yl]benzenesulfonamide

N-[(Z)-1,3-dichloro-1-[3-(trifluoromethyl)phenyl]prop-1-en-2-yl]benzenesulfonamide (PubChem CID 11429760) has the molecular formula C16H12Cl2F3NO2S and a molecular weight of 410.24 g/mol. Its IUPAC name is N-[(Z)-1,3-dichloro-1-[3-(trifluoromethyl)phenyl]prop-1-en-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1,3-dichloro-1-[3-(trifluoromethyl)phenyl]prop-1-en-2-yl]benzenesulfonamide
PubChem CID11429760
Molecular FormulaC16H12Cl2F3NO2S
Molecular Weight410.24 g/mol
Exact Mass408.99
IUPAC NameN-[(Z)-1,3-dichloro-1-[3-(trifluoromethyl)phenyl]prop-1-en-2-yl]benzenesulfonamide
SMILESO=S(=O)(N/C(CCl)=C(\Cl)c1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C16H12Cl2F3NO2S/c17-10-14(22-25(23,24)13-7-2-1-3-8-13)15(18)11-5-4-6-12(9-11)16(19,20)21/h1-9,22H,10H2/b15-14-
InChIKeyVBDVNJUEUYVYKF-PFONDFGASA-N
XLogP4.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.24
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1,3-dichloro-1-(4-pentylphenyl)prop-1-en-2-yl]benzenesulfonamide
CID 134935915
4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 697781
1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
CID 23548404
N-methylsulfonyl-3-(trifluoromethyl)benzamide
CID 47232687
2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethanesulfonyl chloride
CID 81358830
2-chloro-N-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 155212094
N-(3,3-diphenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 74226733
2,2-difluoro-2-[3-(trifluoromethyl)phenyl]sulfonylacetic acid
CID 81218082
1-[3-(trifluoromethyl)phenyl]ethenesulfonyl chloride
CID 117266607
3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 2442733
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride
CID 16788394

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,3-dichloro-1-[3-(trifluoromethyl)phenyl]prop-1-en-2-yl]benzenesulfonamide?
The IUPAC name of N-[(Z)-1,3-dichloro-1-[3-(trifluoromethyl)phenyl]prop-1-en-2-yl]benzenesulfonamide (CID 11429760) is N-[(Z)-1,3-dichloro-1-[3-(trifluoromethyl)phenyl]prop-1-en-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[(Z)-1,3-dichloro-1-[3-(trifluoromethyl)phenyl]prop-1-en-2-yl]benzenesulfonamide?
The canonical SMILES for N-[(Z)-1,3-dichloro-1-[3-(trifluoromethyl)phenyl]prop-1-en-2-yl]benzenesulfonamide is O=S(=O)(N/C(CCl)=C(\Cl)c1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-[(Z)-1,3-dichloro-1-[3-(trifluoromethyl)phenyl]prop-1-en-2-yl]benzenesulfonamide?
The InChIKey is VBDVNJUEUYVYKF-PFONDFGASA-N. The full InChI is InChI=1S/C16H12Cl2F3NO2S/c17-10-14(22-25(23,24)13-7-2-1-3-8-13)15(18)11-5-4-6-12(9-11)16(19,20)21/h1-9,22H,10H2/b15-14-.
What are the key properties of N-[(Z)-1,3-dichloro-1-[3-(trifluoromethyl)phenyl]prop-1-en-2-yl]benzenesulfonamide?
N-[(Z)-1,3-dichloro-1-[3-(trifluoromethyl)phenyl]prop-1-en-2-yl]benzenesulfonamide has a molecular weight of 410.24 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,3-dichloro-1-[3-(trifluoromethyl)phenyl]prop-1-en-2-yl]benzenesulfonamide is sourced from PubChem (CID 11429760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).