2-bromo-4,5-dimethoxy-N-[(1R,5S)-2-methylidene-5-prop-1-en-2-ylcyclohexyl]benzenesulfonamide

C18H24BrNO4S — CID 71657918

IUPAC2-bromo-4,5-dimethoxy-N-[(1R,5S)-2-methylidene-5-prop-1-en-2-ylcyclohexyl]benzenesulfonamide
SMILESC=C(C)[C@H]1CCC(=C)[C@H](NS(=O)(=O)c2cc(OC)c(OC)cc2Br)C1
InChIInChI=1S/C18H24BrNO4S/c1-11(2)13-7-6-12(3)15(8-13)20-25(21,22)18-10-17(24-5)16(23-4)9-14(18)19/h9-10,13,15,20H,1,3,6-8H2,2,4-5H3/t13-,15+/m0/s1
InChIKeyFVPUPFUZHSZOES-DZGCQCFKSA-N
MW430.36 g/mol
LogP4.05
Rot. Bonds6

About 2-bromo-4,5-dimethoxy-N-[(1R,5S)-2-methylidene-5-prop-1-en-2-ylcyclohexyl]benzenesulfonamide

2-bromo-4,5-dimethoxy-N-[(1R,5S)-2-methylidene-5-prop-1-en-2-ylcyclohexyl]benzenesulfonamide (PubChem CID 71657918) has the molecular formula C18H24BrNO4S and a molecular weight of 430.36 g/mol. Its IUPAC name is 2-bromo-4,5-dimethoxy-N-[(1R,5S)-2-methylidene-5-prop-1-en-2-ylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,5-dimethoxy-N-[(1R,5S)-2-methylidene-5-prop-1-en-2-ylcyclohexyl]benzenesulfonamide
PubChem CID71657918
Molecular FormulaC18H24BrNO4S
Molecular Weight430.36 g/mol
Exact Mass429.06
IUPAC Name2-bromo-4,5-dimethoxy-N-[(1R,5S)-2-methylidene-5-prop-1-en-2-ylcyclohexyl]benzenesulfonamide
SMILESC=C(C)[C@H]1CCC(=C)[C@H](NS(=O)(=O)c2cc(OC)c(OC)cc2Br)C1
InChIInChI=1S/C18H24BrNO4S/c1-11(2)13-7-6-12(3)15(8-13)20-25(21,22)18-10-17(24-5)16(23-4)9-14(18)19/h9-10,13,15,20H,1,3,6-8H2,2,4-5H3/t13-,15+/m0/s1
InChIKeyFVPUPFUZHSZOES-DZGCQCFKSA-N
XLogP4.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-bromo-4,5-dimethoxy-N-[(1R,5S)-2-methylidene-5-prop-1-en-2-ylcyclohexyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dimethoxy-N-[(1R,5S)-2-methylidene-5-prop-1-en-2-ylcyclohexyl]benzenesulfonamide?
The IUPAC name of 2-bromo-4,5-dimethoxy-N-[(1R,5S)-2-methylidene-5-prop-1-en-2-ylcyclohexyl]benzenesulfonamide (CID 71657918) is 2-bromo-4,5-dimethoxy-N-[(1R,5S)-2-methylidene-5-prop-1-en-2-ylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,5-dimethoxy-N-[(1R,5S)-2-methylidene-5-prop-1-en-2-ylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-4,5-dimethoxy-N-[(1R,5S)-2-methylidene-5-prop-1-en-2-ylcyclohexyl]benzenesulfonamide is C=C(C)[C@H]1CCC(=C)[C@H](NS(=O)(=O)c2cc(OC)c(OC)cc2Br)C1.
What is the InChIKey of 2-bromo-4,5-dimethoxy-N-[(1R,5S)-2-methylidene-5-prop-1-en-2-ylcyclohexyl]benzenesulfonamide?
The InChIKey is FVPUPFUZHSZOES-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H24BrNO4S/c1-11(2)13-7-6-12(3)15(8-13)20-25(21,22)18-10-17(24-5)16(23-4)9-14(18)19/h9-10,13,15,20H,1,3,6-8H2,2,4-5H3/t13-,15+/m0/s1.
What are the key properties of 2-bromo-4,5-dimethoxy-N-[(1R,5S)-2-methylidene-5-prop-1-en-2-ylcyclohexyl]benzenesulfonamide?
2-bromo-4,5-dimethoxy-N-[(1R,5S)-2-methylidene-5-prop-1-en-2-ylcyclohexyl]benzenesulfonamide has a molecular weight of 430.36 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dimethoxy-N-[(1R,5S)-2-methylidene-5-prop-1-en-2-ylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 71657918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).