N-(4-methyloxan-4-yl)-1-benzofuran-7-sulfonamide

C14H17NO4S — CID 128574628

IUPACN-(4-methyloxan-4-yl)-1-benzofuran-7-sulfonamide
SMILESCC1(NS(=O)(=O)c2cccc3ccoc23)CCOCC1
InChIInChI=1S/C14H17NO4S/c1-14(6-9-18-10-7-14)15-20(16,17)12-4-2-3-11-5-8-19-13(11)12/h2-5,8,15H,6-7,9-10H2,1H3
InChIKeyGIUYEDOENANGJC-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.28
Rot. Bonds3

About N-(4-methyloxan-4-yl)-1-benzofuran-7-sulfonamide

N-(4-methyloxan-4-yl)-1-benzofuran-7-sulfonamide (PubChem CID 128574628) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(4-methyloxan-4-yl)-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound NameN-(4-methyloxan-4-yl)-1-benzofuran-7-sulfonamide
PubChem CID128574628
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC NameN-(4-methyloxan-4-yl)-1-benzofuran-7-sulfonamide
SMILESCC1(NS(=O)(=O)c2cccc3ccoc23)CCOCC1
InChIInChI=1S/C14H17NO4S/c1-14(6-9-18-10-7-14)15-20(16,17)12-4-2-3-11-5-8-19-13(11)12/h2-5,8,15H,6-7,9-10H2,1H3
InChIKeyGIUYEDOENANGJC-UHFFFAOYSA-N
XLogP2.28
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzofuran-2-Sulfonamide
CID 10750432
1-Benzofuran-7-sulfonyl chloride
CID 49762852
1-Benzofuran-3-sulfonyl chloride
CID 55279079
N~2~,N~8~-DI(Tert-butyl)dibenzo[B,D]furan-2,8-disulfonamide
CID 3155998
3-Benzofuransulfonamide
CID 67273585
5-(1-Benzofuran-7-ylsulfonyl)-8-oxa-5-azaspiro[3.5]nonane
CID 128574553
1-(1-Benzofuran-7-ylsulfonyl)-3-ethylazetidine
CID 128775195
N-[(4S)-8-oxaspiro[4.5]decan-4-yl]-1-benzofuran-7-sulfonamide
CID 164635694
N-[(3S)-1-methylpyrrolidin-3-yl]-1-benzofuran-7-sulfonamide
CID 164641167
5-fluoro-N-propan-2-yl-1-benzofuran-2-sulfonamide
CID 122685662
N-[(4-fluorophenyl)methoxy]-1-benzofuran-2-sulfonamide
CID 129056895
4-Fluoro-1-benzofuran-7-sulfonamide
CID 170561957

Frequently Asked Questions

What is the IUPAC name of N-(4-methyloxan-4-yl)-1-benzofuran-7-sulfonamide?
The IUPAC name of N-(4-methyloxan-4-yl)-1-benzofuran-7-sulfonamide (CID 128574628) is N-(4-methyloxan-4-yl)-1-benzofuran-7-sulfonamide.
What is the SMILES notation for N-(4-methyloxan-4-yl)-1-benzofuran-7-sulfonamide?
The canonical SMILES for N-(4-methyloxan-4-yl)-1-benzofuran-7-sulfonamide is CC1(NS(=O)(=O)c2cccc3ccoc23)CCOCC1.
What is the InChIKey of N-(4-methyloxan-4-yl)-1-benzofuran-7-sulfonamide?
The InChIKey is GIUYEDOENANGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-14(6-9-18-10-7-14)15-20(16,17)12-4-2-3-11-5-8-19-13(11)12/h2-5,8,15H,6-7,9-10H2,1H3.
What are the key properties of N-(4-methyloxan-4-yl)-1-benzofuran-7-sulfonamide?
N-(4-methyloxan-4-yl)-1-benzofuran-7-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyloxan-4-yl)-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 128574628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).