4-bromo-N-(3,8-dimethyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide

C20H20BrNO3S — CID 4856212

IUPAC4-bromo-N-(3,8-dimethyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
SMILESCc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(Br)cc1)CC(C)CC3
InChIInChI=1S/C20H20BrNO3S/c1-12-3-8-19-16(9-12)17-11-18(13(2)10-20(17)25-19)22-26(23,24)15-6-4-14(21)5-7-15/h4-7,10-12,22H,3,8-9H2,1-2H3
InChIKeyWBGCWUBQHMBAAR-UHFFFAOYSA-N
MW434.36 g/mol
LogP5.43
Rot. Bonds3

About 4-bromo-N-(3,8-dimethyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide

4-bromo-N-(3,8-dimethyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide (PubChem CID 4856212) has the molecular formula C20H20BrNO3S and a molecular weight of 434.36 g/mol. Its IUPAC name is 4-bromo-N-(3,8-dimethyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3,8-dimethyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
PubChem CID4856212
Molecular FormulaC20H20BrNO3S
Molecular Weight434.36 g/mol
Exact Mass433.03
IUPAC Name4-bromo-N-(3,8-dimethyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
SMILESCc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(Br)cc1)CC(C)CC3
InChIInChI=1S/C20H20BrNO3S/c1-12-3-8-19-16(9-12)17-11-18(13(2)10-20(17)25-19)22-26(23,24)15-6-4-14(21)5-7-15/h4-7,10-12,22H,3,8-9H2,1-2H3
InChIKeyWBGCWUBQHMBAAR-UHFFFAOYSA-N
XLogP5.43
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.36
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-(3,8-dimethyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide with MolForge

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Related Compounds

2,5-dibromo-N-(8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
CID 25036570
N-[(8S)-3,8-dimethyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 40851726
4-methoxy-N-(8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
CID 3382674
4-methoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 992568
2-methyl-N-[(8R)-8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl]-5-nitrobenzenesulfonamide
CID 40893826
4-ethoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 1183850
2-methyl-N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 7064459
N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]naphthalene-2-sulfonamide
CID 1183851
N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-3-nitrobenzenesulfonamide
CID 7493213
4-chloro-N-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
CID 6618080
2,4,5-trichloro-N-(8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
CID 25035364
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3,8-dimethyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(3,8-dimethyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide (CID 4856212) is 4-bromo-N-(3,8-dimethyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3,8-dimethyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3,8-dimethyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide is Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(Br)cc1)CC(C)CC3.
What is the InChIKey of 4-bromo-N-(3,8-dimethyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
The InChIKey is WBGCWUBQHMBAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrNO3S/c1-12-3-8-19-16(9-12)17-11-18(13(2)10-20(17)25-19)22-26(23,24)15-6-4-14(21)5-7-15/h4-7,10-12,22H,3,8-9H2,1-2H3.
What are the key properties of 4-bromo-N-(3,8-dimethyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
4-bromo-N-(3,8-dimethyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide has a molecular weight of 434.36 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3,8-dimethyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide is sourced from PubChem (CID 4856212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).