4-tert-butyl-N-(3,7,7-trimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide

C25H29NO4S — CID 4856201

IUPAC4-tert-butyl-N-(3,7,7-trimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide
SMILESCc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)CC(C)(C)C3
InChIInChI=1S/C25H29NO4S/c1-15-11-21-18(23-20(27)13-25(5,6)14-22(23)30-21)12-19(15)26-31(28,29)17-9-7-16(8-10-17)24(2,3)4/h7-12,26H,13-14H2,1-6H3
InChIKeyLTTYQPZPDNDAMK-UHFFFAOYSA-N
MW439.58 g/mol
LogP5.99
Rot. Bonds3

About 4-tert-butyl-N-(3,7,7-trimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide

4-tert-butyl-N-(3,7,7-trimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide (PubChem CID 4856201) has the molecular formula C25H29NO4S and a molecular weight of 439.58 g/mol. Its IUPAC name is 4-tert-butyl-N-(3,7,7-trimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3,7,7-trimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide
PubChem CID4856201
Molecular FormulaC25H29NO4S
Molecular Weight439.58 g/mol
Exact Mass439.18
IUPAC Name4-tert-butyl-N-(3,7,7-trimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide
SMILESCc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)CC(C)(C)C3
InChIInChI=1S/C25H29NO4S/c1-15-11-21-18(23-20(27)13-25(5,6)14-22(23)30-21)12-19(15)26-31(28,29)17-9-7-16(8-10-17)24(2,3)4/h7-12,26H,13-14H2,1-6H3
InChIKeyLTTYQPZPDNDAMK-UHFFFAOYSA-N
XLogP5.99
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.58
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-N-(3,7,7-trimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide with MolForge

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Related Compounds

4-chloro-N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide
CID 997731
N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-4-methyl-3-nitrobenzenesulfonamide
CID 2937245
N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-2,4,5-trimethylbenzenesulfonamide
CID 4064079
3,3,7-trimethyl-2,4-dihydrodibenzofuran-1-one
CID 134372965
pentyl 5-[(4-tert-butylphenyl)sulfonylamino]-2,6-dimethyl-1-benzofuran-3-carboxylate
CID 4855583
N-(4,7-dimethyl-2-oxochromen-6-yl)-4-methylbenzenesulfonamide;ethane
CID 178026568
N-(4-bromo-2-methylphenyl)-4-tert-butylbenzenesulfonamide
CID 22774646
4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 3644153
4-bromo-N-(3,8-dimethyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 4856212
N-(4-chloro-7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-3-nitrobenzenesulfonamide
CID 2887559
2,5-dichloro-N-(4-chloro-7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide
CID 2355048
N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-4-nitrobenzenesulfonamide
CID 141414514

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3,7,7-trimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(3,7,7-trimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide (CID 4856201) is 4-tert-butyl-N-(3,7,7-trimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(3,7,7-trimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(3,7,7-trimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide is Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)CC(C)(C)C3.
What is the InChIKey of 4-tert-butyl-N-(3,7,7-trimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide?
The InChIKey is LTTYQPZPDNDAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO4S/c1-15-11-21-18(23-20(27)13-25(5,6)14-22(23)30-21)12-19(15)26-31(28,29)17-9-7-16(8-10-17)24(2,3)4/h7-12,26H,13-14H2,1-6H3.
What are the key properties of 4-tert-butyl-N-(3,7,7-trimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide?
4-tert-butyl-N-(3,7,7-trimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide has a molecular weight of 439.58 g/mol, XLogP of 5.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3,7,7-trimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide is sourced from PubChem (CID 4856201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).