N-[(E)-1-chloro-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide

C16H16ClNO2S — CID 155490363

IUPACN-[(E)-1-chloro-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)/C(Cl)=C\c2ccccc2)cc1
InChIInChI=1S/C16H16ClNO2S/c1-13-8-10-15(11-9-13)21(19,20)18(2)16(17)12-14-6-4-3-5-7-14/h3-12H,1-2H3/b16-12-
InChIKeyAGDOGFLXGWGUNG-VBKFSLOCSA-N
MW321.83 g/mol
LogP3.85
Rot. Bonds4

About N-[(E)-1-chloro-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide

N-[(E)-1-chloro-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 155490363) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is N-[(E)-1-chloro-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-1-chloro-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide
PubChem CID155490363
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC NameN-[(E)-1-chloro-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)/C(Cl)=C\c2ccccc2)cc1
InChIInChI=1S/C16H16ClNO2S/c1-13-8-10-15(11-9-13)21(19,20)18(2)16(17)12-14-6-4-3-5-7-14/h3-12H,1-2H3/b16-12-
InChIKeyAGDOGFLXGWGUNG-VBKFSLOCSA-N
XLogP3.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-[bis(benzenesulfonyl)amino]-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide
CID 122208299
1-(1-chloro-2-phenylethenyl)sulfonyl-4-methylbenzene
CID 819514
N-[(Z)-1-[bis(benzenesulfonyl)amino]prop-1-enyl]-N,4-dimethylbenzenesulfonamide
CID 122208308
1-methyl-1-(4-methylphenyl)sulfonyl-3-phenylurea
CID 15716439
N-(benzenesulfonyl)-N'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135052084
N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3423617
N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2873223
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
(Z)-1-chloro-2-phenylethenesulfonic acid;4-methylaniline
CID 90481907
1-methyl-4-[(Z)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]sulfonylbenzene
CID 100923020
N-[(E)-1-chloro-2-phenylethenyl]-N-methylaniline
CID 132574216
1-[(Z)-1-chloro-2-phenylethenyl]-4-methylbenzene
CID 15417412

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-chloro-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(E)-1-chloro-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide (CID 155490363) is N-[(E)-1-chloro-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-1-chloro-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(E)-1-chloro-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)/C(Cl)=C\c2ccccc2)cc1.
What is the InChIKey of N-[(E)-1-chloro-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is AGDOGFLXGWGUNG-VBKFSLOCSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-13-8-10-15(11-9-13)21(19,20)18(2)16(17)12-14-6-4-3-5-7-14/h3-12H,1-2H3/b16-12-.
What are the key properties of N-[(E)-1-chloro-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide?
N-[(E)-1-chloro-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 321.83 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-chloro-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 155490363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).