N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide

C12H17NO3S — CID 60647656

IUPACN-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H17NO3S/c1-3-9(2)13-17(14,15)11-4-5-12-10(8-11)6-7-16-12/h4-5,8-9,13H,3,6-7H2,1-2H3
InChIKeyVYYAOVPFWCBIML-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.70
Rot. Bonds4

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

N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 60647656) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID60647656
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H17NO3S/c1-3-9(2)13-17(14,15)11-4-5-12-10(8-11)6-7-16-12/h4-5,8-9,13H,3,6-7H2,1-2H3
InChIKeyVYYAOVPFWCBIML-UHFFFAOYSA-N
XLogP1.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxybutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 43501667
N-[(2S)-1-hydroxybutan-2-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 104981893
N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 65192981
N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807871
7-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]-9H-fluorene-2,7-disulfonamide
CID 979641
2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide
CID 3130331
N-(2-ethylhexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46457555
N-(4-hydroxy-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 103861269
N-[1-(3-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51249276
N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 94605722
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 65113392

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 60647656) is N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide is CCC(C)NS(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is VYYAOVPFWCBIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-3-9(2)13-17(14,15)11-4-5-12-10(8-11)6-7-16-12/h4-5,8-9,13H,3,6-7H2,1-2H3.
What are the key properties of N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 60647656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).