(Z)-2-(3-methylphenyl)sulfonyl-3-phenylprop-2-enoyl chloride

C16H13ClO3S — CID 10758097

IUPAC(Z)-2-(3-methylphenyl)sulfonyl-3-phenylprop-2-enoyl chloride
SMILESCc1cccc(S(=O)(=O)/C(=C\c2ccccc2)C(=O)Cl)c1
InChIInChI=1S/C16H13ClO3S/c1-12-6-5-9-14(10-12)21(19,20)15(16(17)18)11-13-7-3-2-4-8-13/h2-11H,1H3/b15-11-
InChIKeyMFEKQZSXLUTLOM-PTNGSMBKSA-N
MW320.80 g/mol
LogP3.58
Rot. Bonds4

About (Z)-2-(3-methylphenyl)sulfonyl-3-phenylprop-2-enoyl chloride

(Z)-2-(3-methylphenyl)sulfonyl-3-phenylprop-2-enoyl chloride (PubChem CID 10758097) has the molecular formula C16H13ClO3S and a molecular weight of 320.80 g/mol. Its IUPAC name is (Z)-2-(3-methylphenyl)sulfonyl-3-phenylprop-2-enoyl chloride.

Molecular Properties

Compound Name(Z)-2-(3-methylphenyl)sulfonyl-3-phenylprop-2-enoyl chloride
PubChem CID10758097
Molecular FormulaC16H13ClO3S
Molecular Weight320.80 g/mol
Exact Mass320.03
IUPAC Name(Z)-2-(3-methylphenyl)sulfonyl-3-phenylprop-2-enoyl chloride
SMILESCc1cccc(S(=O)(=O)/C(=C\c2ccccc2)C(=O)Cl)c1
InChIInChI=1S/C16H13ClO3S/c1-12-6-5-9-14(10-12)21(19,20)15(16(17)18)11-13-7-3-2-4-8-13/h2-11H,1H3/b15-11-
InChIKeyMFEKQZSXLUTLOM-PTNGSMBKSA-N
XLogP3.58
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-(benzenesulfonyl)-3-phenylprop-2-enoic acid
CID 10565275
methyl (Z)-2-(benzenesulfonyl)-3-phenylprop-2-enoate
CID 101174198
(1E,4E)-2-(benzenesulfonyl)-4-methyl-1-phenylhexa-1,4-dien-3-one
CID 101351311
1-(1-chloro-2-phenylethenyl)sulfonyl-4-methylbenzene
CID 819514
2-(3-methylbenzoyl)-3-phenylprop-2-enoic acid
CID 143123720
(3-methylphenyl)sulfonylazanide
CID 158627668
1-[2-(benzenesulfonyl)ethenyl]-3-methylbenzene
CID 175536541
[(Z)-2-(benzenesulfonyl)prop-1-enyl]benzene
CID 5382420
(Z)-2-methyl-3-phenylprop-2-enoyl chloride
CID 5355069
2-aminoethyl (Z)-2-(benzenesulfonyl)-3-phenylprop-2-enoate
CID 10520512
(Z)-2,3-diphenylprop-2-enoyl chloride
CID 12558834
N-[(E)-1-chloro-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide
CID 155490363

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3-methylphenyl)sulfonyl-3-phenylprop-2-enoyl chloride?
The IUPAC name of (Z)-2-(3-methylphenyl)sulfonyl-3-phenylprop-2-enoyl chloride (CID 10758097) is (Z)-2-(3-methylphenyl)sulfonyl-3-phenylprop-2-enoyl chloride.
What is the SMILES notation for (Z)-2-(3-methylphenyl)sulfonyl-3-phenylprop-2-enoyl chloride?
The canonical SMILES for (Z)-2-(3-methylphenyl)sulfonyl-3-phenylprop-2-enoyl chloride is Cc1cccc(S(=O)(=O)/C(=C\c2ccccc2)C(=O)Cl)c1.
What is the InChIKey of (Z)-2-(3-methylphenyl)sulfonyl-3-phenylprop-2-enoyl chloride?
The InChIKey is MFEKQZSXLUTLOM-PTNGSMBKSA-N. The full InChI is InChI=1S/C16H13ClO3S/c1-12-6-5-9-14(10-12)21(19,20)15(16(17)18)11-13-7-3-2-4-8-13/h2-11H,1H3/b15-11-.
What are the key properties of (Z)-2-(3-methylphenyl)sulfonyl-3-phenylprop-2-enoyl chloride?
(Z)-2-(3-methylphenyl)sulfonyl-3-phenylprop-2-enoyl chloride has a molecular weight of 320.80 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3-methylphenyl)sulfonyl-3-phenylprop-2-enoyl chloride is sourced from PubChem (CID 10758097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).