N-[2-[tri(propan-2-yl)silylmethyl]-2,3-dihydro-1-benzofuran-5-yl]benzenesulfonamide

C24H35NO3SSi — CID 11178316

IUPACN-[2-[tri(propan-2-yl)silylmethyl]-2,3-dihydro-1-benzofuran-5-yl]benzenesulfonamide
SMILESCC(C)[Si](CC1Cc2cc(NS(=O)(=O)c3ccccc3)ccc2O1)(C(C)C)C(C)C
InChIInChI=1S/C24H35NO3SSi/c1-17(2)30(18(3)4,19(5)6)16-22-15-20-14-21(12-13-24(20)28-22)25-29(26,27)23-10-8-7-9-11-23/h7-14,17-19,22,25H,15-16H2,1-6H3
InChIKeyUFCKCOTUJZEULR-UHFFFAOYSA-N
MW445.70 g/mol
LogP6.47
Rot. Bonds8

About N-[2-[tri(propan-2-yl)silylmethyl]-2,3-dihydro-1-benzofuran-5-yl]benzenesulfonamide

N-[2-[tri(propan-2-yl)silylmethyl]-2,3-dihydro-1-benzofuran-5-yl]benzenesulfonamide (PubChem CID 11178316) has the molecular formula C24H35NO3SSi and a molecular weight of 445.70 g/mol. Its IUPAC name is N-[2-[tri(propan-2-yl)silylmethyl]-2,3-dihydro-1-benzofuran-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[tri(propan-2-yl)silylmethyl]-2,3-dihydro-1-benzofuran-5-yl]benzenesulfonamide
PubChem CID11178316
Molecular FormulaC24H35NO3SSi
Molecular Weight445.70 g/mol
Exact Mass445.21
IUPAC NameN-[2-[tri(propan-2-yl)silylmethyl]-2,3-dihydro-1-benzofuran-5-yl]benzenesulfonamide
SMILESCC(C)[Si](CC1Cc2cc(NS(=O)(=O)c3ccccc3)ccc2O1)(C(C)C)C(C)C
InChIInChI=1S/C24H35NO3SSi/c1-17(2)30(18(3)4,19(5)6)16-22-15-20-14-21(12-13-24(20)28-22)25-29(26,27)23-10-8-7-9-11-23/h7-14,17-19,22,25H,15-16H2,1-6H3
InChIKeyUFCKCOTUJZEULR-UHFFFAOYSA-N
XLogP6.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.70
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[tri(propan-2-yl)silylmethyl]-2,3-dihydro-1-benzofuran-5-yl]benzenesulfonamide?
The IUPAC name of N-[2-[tri(propan-2-yl)silylmethyl]-2,3-dihydro-1-benzofuran-5-yl]benzenesulfonamide (CID 11178316) is N-[2-[tri(propan-2-yl)silylmethyl]-2,3-dihydro-1-benzofuran-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-[tri(propan-2-yl)silylmethyl]-2,3-dihydro-1-benzofuran-5-yl]benzenesulfonamide?
The canonical SMILES for N-[2-[tri(propan-2-yl)silylmethyl]-2,3-dihydro-1-benzofuran-5-yl]benzenesulfonamide is CC(C)[Si](CC1Cc2cc(NS(=O)(=O)c3ccccc3)ccc2O1)(C(C)C)C(C)C.
What is the InChIKey of N-[2-[tri(propan-2-yl)silylmethyl]-2,3-dihydro-1-benzofuran-5-yl]benzenesulfonamide?
The InChIKey is UFCKCOTUJZEULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO3SSi/c1-17(2)30(18(3)4,19(5)6)16-22-15-20-14-21(12-13-24(20)28-22)25-29(26,27)23-10-8-7-9-11-23/h7-14,17-19,22,25H,15-16H2,1-6H3.
What are the key properties of N-[2-[tri(propan-2-yl)silylmethyl]-2,3-dihydro-1-benzofuran-5-yl]benzenesulfonamide?
N-[2-[tri(propan-2-yl)silylmethyl]-2,3-dihydro-1-benzofuran-5-yl]benzenesulfonamide has a molecular weight of 445.70 g/mol, XLogP of 6.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tri(propan-2-yl)silylmethyl]-2,3-dihydro-1-benzofuran-5-yl]benzenesulfonamide is sourced from PubChem (CID 11178316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).