N-[2-(3,4-dimethoxy-2-prop-2-enylphenyl)ethyl]benzenesulfonamide

C19H23NO4S — CID 71497480

IUPACN-[2-(3,4-dimethoxy-2-prop-2-enylphenyl)ethyl]benzenesulfonamide
SMILESC=CCc1c(CCNS(=O)(=O)c2ccccc2)ccc(OC)c1OC
InChIInChI=1S/C19H23NO4S/c1-4-8-17-15(11-12-18(23-2)19(17)24-3)13-14-20-25(21,22)16-9-6-5-7-10-16/h4-7,9-12,20H,1,8,13-14H2,2-3H3
InChIKeyXVAAGMKVFLFRJK-UHFFFAOYSA-N
MW361.46 g/mol
LogP2.95
Rot. Bonds9

About N-[2-(3,4-dimethoxy-2-prop-2-enylphenyl)ethyl]benzenesulfonamide

N-[2-(3,4-dimethoxy-2-prop-2-enylphenyl)ethyl]benzenesulfonamide (PubChem CID 71497480) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxy-2-prop-2-enylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxy-2-prop-2-enylphenyl)ethyl]benzenesulfonamide
PubChem CID71497480
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-[2-(3,4-dimethoxy-2-prop-2-enylphenyl)ethyl]benzenesulfonamide
SMILESC=CCc1c(CCNS(=O)(=O)c2ccccc2)ccc(OC)c1OC
InChIInChI=1S/C19H23NO4S/c1-4-8-17-15(11-12-18(23-2)19(17)24-3)13-14-20-25(21,22)16-9-6-5-7-10-16/h4-7,9-12,20H,1,8,13-14H2,2-3H3
InChIKeyXVAAGMKVFLFRJK-UHFFFAOYSA-N
XLogP2.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide
CID 110787683
N-(3,4-dimethoxy-2-prop-2-enylphenyl)-N-prop-2-enylbenzenesulfonamide
CID 102204458
N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 110789779
1-methoxy-2-phenylmethoxy-4-(prop-2-enoxymethyl)-3-prop-2-enylbenzene
CID 23247258
3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 31115017
4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide
CID 741442
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110789718
3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1120509
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9246179
4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 112822931
N-[2-(2,3-dimethoxyphenyl)ethyl]-2,6-difluorobenzenesulfonamide
CID 3449408
4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide
CID 1281323

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxy-2-prop-2-enylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(3,4-dimethoxy-2-prop-2-enylphenyl)ethyl]benzenesulfonamide (CID 71497480) is N-[2-(3,4-dimethoxy-2-prop-2-enylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(3,4-dimethoxy-2-prop-2-enylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(3,4-dimethoxy-2-prop-2-enylphenyl)ethyl]benzenesulfonamide is C=CCc1c(CCNS(=O)(=O)c2ccccc2)ccc(OC)c1OC.
What is the InChIKey of N-[2-(3,4-dimethoxy-2-prop-2-enylphenyl)ethyl]benzenesulfonamide?
The InChIKey is XVAAGMKVFLFRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-4-8-17-15(11-12-18(23-2)19(17)24-3)13-14-20-25(21,22)16-9-6-5-7-10-16/h4-7,9-12,20H,1,8,13-14H2,2-3H3.
What are the key properties of N-[2-(3,4-dimethoxy-2-prop-2-enylphenyl)ethyl]benzenesulfonamide?
N-[2-(3,4-dimethoxy-2-prop-2-enylphenyl)ethyl]benzenesulfonamide has a molecular weight of 361.46 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxy-2-prop-2-enylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 71497480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).