N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-propan-2-ylbenzenesulfonamide

C18H20BrNO3S — CID 53210064

IUPACN-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NC2COc3ccc(Br)cc3C2)cc1
InChIInChI=1S/C18H20BrNO3S/c1-12(2)13-3-6-17(7-4-13)24(21,22)20-16-10-14-9-15(19)5-8-18(14)23-11-16/h3-9,12,16,20H,10-11H2,1-2H3
InChIKeyBLFNDOBPGZAWLI-UHFFFAOYSA-N
MW410.33 g/mol
LogP3.85
Rot. Bonds4

About N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-propan-2-ylbenzenesulfonamide

N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 53210064) has the molecular formula C18H20BrNO3S and a molecular weight of 410.33 g/mol. Its IUPAC name is N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-propan-2-ylbenzenesulfonamide
PubChem CID53210064
Molecular FormulaC18H20BrNO3S
Molecular Weight410.33 g/mol
Exact Mass409.03
IUPAC NameN-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NC2COc3ccc(Br)cc3C2)cc1
InChIInChI=1S/C18H20BrNO3S/c1-12(2)13-3-6-17(7-4-13)24(21,22)20-16-10-14-9-15(19)5-8-18(14)23-11-16/h3-9,12,16,20H,10-11H2,1-2H3
InChIKeyBLFNDOBPGZAWLI-UHFFFAOYSA-N
XLogP3.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-propan-2-ylbenzenesulfonamide 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 N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-propan-2-ylbenzenesulfonamide (CID 53210064) is N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NC2COc3ccc(Br)cc3C2)cc1.
What is the InChIKey of N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is BLFNDOBPGZAWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3S/c1-12(2)13-3-6-17(7-4-13)24(21,22)20-16-10-14-9-15(19)5-8-18(14)23-11-16/h3-9,12,16,20H,10-11H2,1-2H3.
What are the key properties of N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-propan-2-ylbenzenesulfonamide?
N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 410.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 53210064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).