3-[(E)-2-(4-methoxy-2-methylphenyl)ethenyl]benzenesulfonamide

C16H17NO3S — CID 155479582

IUPAC3-[(E)-2-(4-methoxy-2-methylphenyl)ethenyl]benzenesulfonamide
SMILESCOc1ccc(/C=C/c2cccc(S(N)(=O)=O)c2)c(C)c1
InChIInChI=1S/C16H17NO3S/c1-12-10-15(20-2)9-8-14(12)7-6-13-4-3-5-16(11-13)21(17,18)19/h3-11H,1-2H3,(H2,17,18,19)/b7-6+
InChIKeyOGERIRPBGMPJKF-VOTSOKGWSA-N
MW303.38 g/mol
LogP2.82
Rot. Bonds4

About 3-[(E)-2-(4-methoxy-2-methylphenyl)ethenyl]benzenesulfonamide

3-[(E)-2-(4-methoxy-2-methylphenyl)ethenyl]benzenesulfonamide (PubChem CID 155479582) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 3-[(E)-2-(4-methoxy-2-methylphenyl)ethenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[(E)-2-(4-methoxy-2-methylphenyl)ethenyl]benzenesulfonamide
PubChem CID155479582
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name3-[(E)-2-(4-methoxy-2-methylphenyl)ethenyl]benzenesulfonamide
SMILESCOc1ccc(/C=C/c2cccc(S(N)(=O)=O)c2)c(C)c1
InChIInChI=1S/C16H17NO3S/c1-12-10-15(20-2)9-8-14(12)7-6-13-4-3-5-16(11-13)21(17,18)19/h3-11H,1-2H3,(H2,17,18,19)/b7-6+
InChIKeyOGERIRPBGMPJKF-VOTSOKGWSA-N
XLogP2.82
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxybenzenesulfonamide
CID 14763060
3-methoxybenzenesulfonamide;hydrochloride
CID 141115301
2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
CID 90666858
(E)-3-(6-methoxynaphthalen-2-yl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 34752671
1-[(E)-2-bromoethenyl]-4-methoxy-2-methylbenzene
CID 121395712
3-(4-methoxy-2-methylphenyl)prop-2-en-1-ol
CID 86025017
1-[(E)-but-1-enyl]-4-methoxy-2-methylbenzene
CID 145499218
3-N-[(6-methoxynaphthalen-2-yl)methyl]benzene-1,3-disulfonamide
CID 31109957
2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-5-methoxyaniline
CID 69247793
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512
benzene-1,3-disulfonamide
CID 3090044
1,4-bis[(E)-2-(4-bromophenyl)ethenyl]-2-methylbenzene;1-bromo-4-ethylbenzene;4-methoxy-2-methylbenzaldehyde;bromide
CID 162213493

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-methoxy-2-methylphenyl)ethenyl]benzenesulfonamide?
The IUPAC name of 3-[(E)-2-(4-methoxy-2-methylphenyl)ethenyl]benzenesulfonamide (CID 155479582) is 3-[(E)-2-(4-methoxy-2-methylphenyl)ethenyl]benzenesulfonamide.
What is the SMILES notation for 3-[(E)-2-(4-methoxy-2-methylphenyl)ethenyl]benzenesulfonamide?
The canonical SMILES for 3-[(E)-2-(4-methoxy-2-methylphenyl)ethenyl]benzenesulfonamide is COc1ccc(/C=C/c2cccc(S(N)(=O)=O)c2)c(C)c1.
What is the InChIKey of 3-[(E)-2-(4-methoxy-2-methylphenyl)ethenyl]benzenesulfonamide?
The InChIKey is OGERIRPBGMPJKF-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-12-10-15(20-2)9-8-14(12)7-6-13-4-3-5-16(11-13)21(17,18)19/h3-11H,1-2H3,(H2,17,18,19)/b7-6+.
What are the key properties of 3-[(E)-2-(4-methoxy-2-methylphenyl)ethenyl]benzenesulfonamide?
3-[(E)-2-(4-methoxy-2-methylphenyl)ethenyl]benzenesulfonamide has a molecular weight of 303.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-methoxy-2-methylphenyl)ethenyl]benzenesulfonamide is sourced from PubChem (CID 155479582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).