N-(2,5-dichlorophenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide

C16H15Cl2NO2S2 — CID 100517325

IUPACN-(2,5-dichlorophenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C16H15Cl2NO2S2/c1-3-10-19(16-11-12(17)4-9-15(16)18)23(20,21)14-7-5-13(22-2)6-8-14/h3-9,11H,1,10H2,2H3
InChIKeyBDJIBMIQSSNFAK-UHFFFAOYSA-N
MW388.34 g/mol
LogP5.10
Rot. Bonds6

About N-(2,5-dichlorophenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide

N-(2,5-dichlorophenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 100517325) has the molecular formula C16H15Cl2NO2S2 and a molecular weight of 388.34 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
PubChem CID100517325
Molecular FormulaC16H15Cl2NO2S2
Molecular Weight388.34 g/mol
Exact Mass386.99
IUPAC NameN-(2,5-dichlorophenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C16H15Cl2NO2S2/c1-3-10-19(16-11-12(17)4-9-15(16)18)23(20,21)14-7-5-13(22-2)6-8-14/h3-9,11H,1,10H2,2H3
InChIKeyBDJIBMIQSSNFAK-UHFFFAOYSA-N
XLogP5.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.34
LogP ≤ 55.10
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-(5-chloro-2-methylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
CID 100517814
2,5-dichloro-N-(2,5-dichlorophenyl)-N-prop-2-enylbenzenesulfonamide
CID 100507490
N-(3-chloro-4-methylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
CID 100517959
N-(2-ethylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
CID 100515606
N-(2-methoxy-5-nitrophenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
CID 100518825
4-methylsulfanyl-N-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 100516677
N-(2-chlorophenyl)-3-fluoro-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 100542077
methyl 4-chloro-3-[(3-fluoro-4-methoxyphenyl)sulfonyl-prop-2-enylamino]benzoate
CID 100546076
2,5-dichloro-N-methyl-N-prop-2-enylaniline
CID 130605525
N-(2-chlorophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100530860
2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide
CID 100507319
3-chloro-N-(2-chlorophenyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 100510758

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide (CID 100517325) is N-(2,5-dichlorophenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide is C=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(SC)cc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is BDJIBMIQSSNFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2S2/c1-3-10-19(16-11-12(17)4-9-15(16)18)23(20,21)14-7-5-13(22-2)6-8-14/h3-9,11H,1,10H2,2H3.
What are the key properties of N-(2,5-dichlorophenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide?
N-(2,5-dichlorophenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 388.34 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 100517325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).