3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide

C17H20N2O4S — CID 112980172

IUPAC3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide
SMILESC=CCNc1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C17H20N2O4S/c1-4-11-18-13-5-7-14(8-6-13)19-24(20,21)15-9-10-16(22-2)17(12-15)23-3/h4-10,12,18-19H,1,11H2,2-3H3
InChIKeyFJMURVGIDUATMQ-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.10
Rot. Bonds8

About 3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide

3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide (PubChem CID 112980172) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide
PubChem CID112980172
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide
SMILESC=CCNc1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C17H20N2O4S/c1-4-11-18-13-5-7-14(8-6-13)19-24(20,21)15-9-10-16(22-2)17(12-15)23-3/h4-10,12,18-19H,1,11H2,2-3H3
InChIKeyFJMURVGIDUATMQ-UHFFFAOYSA-N
XLogP3.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 112981589
3,4-dimethoxy-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985152
3,4-dimethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide
CID 112981118
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
3,4-dimethoxy-N-[4-(4-methylanilino)phenyl]benzenesulfonamide
CID 112986058
4-tert-butyl-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide
CID 112980197
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 3801791
N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 4828069
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980100
3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 67019607
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide
CID 112980985

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide (CID 112980172) is 3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide is C=CCNc1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide?
The InChIKey is FJMURVGIDUATMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-4-11-18-13-5-7-14(8-6-13)19-24(20,21)15-9-10-16(22-2)17(12-15)23-3/h4-10,12,18-19H,1,11H2,2-3H3.
What are the key properties of 3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide?
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide has a molecular weight of 348.42 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 112980172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).