2,5-dimethyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide

C20H21NO3S — CID 1184157

IUPAC2,5-dimethyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)CCCC4)c1
InChIInChI=1S/C20H21NO3S/c1-13-7-8-14(2)20(11-13)25(22,23)21-15-9-10-19-17(12-15)16-5-3-4-6-18(16)24-19/h7-12,21H,3-6H2,1-2H3
InChIKeyRSOXIMBRQNJFRP-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.73
Rot. Bonds3

About 2,5-dimethyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide

2,5-dimethyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide (PubChem CID 1184157) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2,5-dimethyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
PubChem CID1184157
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC Name2,5-dimethyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)CCCC4)c1
InChIInChI=1S/C20H21NO3S/c1-13-7-8-14(2)20(11-13)25(22,23)21-15-9-10-19-17(12-15)16-5-3-4-6-18(16)24-19/h7-12,21H,3-6H2,1-2H3
InChIKeyRSOXIMBRQNJFRP-UHFFFAOYSA-N
XLogP4.73
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,5-dimethylbenzenesulfonamide
CID 4303066
4-chloro-3-methyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 4826401
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2,5-dimethylbenzenesulfonamide
CID 1110209
2,5-dimethyl-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
CID 3483588
2-methyl-N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 7064459
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729056
2,4,6-trimethyl-N-[(7S)-7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 7559471
4-chloro-3-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 2873288
N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-methylbenzenesulfonamide
CID 7559465
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202667
N-(2,4-dimethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide
CID 1260133

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide (CID 1184157) is 2,5-dimethyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)CCCC4)c1.
What is the InChIKey of 2,5-dimethyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
The InChIKey is RSOXIMBRQNJFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-13-7-8-14(2)20(11-13)25(22,23)21-15-9-10-19-17(12-15)16-5-3-4-6-18(16)24-19/h7-12,21H,3-6H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
2,5-dimethyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide is sourced from PubChem (CID 1184157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).