N-benzyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide

C18H21NO3S — CID 2813489

IUPACN-benzyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H21NO3S/c1-14(2)19(13-15-6-4-3-5-7-15)23(20,21)17-8-9-18-16(12-17)10-11-22-18/h3-9,12,14H,10-11,13H2,1-2H3
InChIKeyMEODTTKRBGAUKU-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.22
Rot. Bonds5

About N-benzyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide

N-benzyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 2813489) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-benzyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID2813489
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-benzyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H21NO3S/c1-14(2)19(13-15-6-4-3-5-7-15)23(20,21)17-8-9-18-16(12-17)10-11-22-18/h3-9,12,14H,10-11,13H2,1-2H3
InChIKeyMEODTTKRBGAUKU-UHFFFAOYSA-N
XLogP3.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-benzyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 2813489) is N-benzyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-benzyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-benzyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide is CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-benzyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is MEODTTKRBGAUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-14(2)19(13-15-6-4-3-5-7-15)23(20,21)17-8-9-18-16(12-17)10-11-22-18/h3-9,12,14H,10-11,13H2,1-2H3.
What are the key properties of N-benzyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-benzyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 331.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 2813489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).