4-methyl-N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)benzenesulfonamide

C20H25NO3S — CID 10642223

IUPAC4-methyl-N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)c(C)c3c(c2C)CC(C)(C)O3)cc1
InChIInChI=1S/C20H25NO3S/c1-12-7-9-16(10-8-12)25(22,23)21-18-13(2)14(3)19-17(15(18)4)11-20(5,6)24-19/h7-10,21H,11H2,1-6H3
InChIKeyMVSCMLVMTAVMIT-UHFFFAOYSA-N
MW359.49 g/mol
LogP4.43
Rot. Bonds3

About 4-methyl-N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)benzenesulfonamide

4-methyl-N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)benzenesulfonamide (PubChem CID 10642223) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 4-methyl-N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)benzenesulfonamide
PubChem CID10642223
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name4-methyl-N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)c(C)c3c(c2C)CC(C)(C)O3)cc1
InChIInChI=1S/C20H25NO3S/c1-12-7-9-16(10-8-12)25(22,23)21-18-13(2)14(3)19-17(15(18)4)11-20(5,6)24-19/h7-10,21H,11H2,1-6H3
InChIKeyMVSCMLVMTAVMIT-UHFFFAOYSA-N
XLogP4.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)benzenesulfonamide (CID 10642223) is 4-methyl-N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(C)c(C)c3c(c2C)CC(C)(C)O3)cc1.
What is the InChIKey of 4-methyl-N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)benzenesulfonamide?
The InChIKey is MVSCMLVMTAVMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-12-7-9-16(10-8-12)25(22,23)21-18-13(2)14(3)19-17(15(18)4)11-20(5,6)24-19/h7-10,21H,11H2,1-6H3.
What are the key properties of 4-methyl-N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)benzenesulfonamide?
4-methyl-N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)benzenesulfonamide has a molecular weight of 359.49 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)benzenesulfonamide is sourced from PubChem (CID 10642223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).