6-fluoro-N-propan-2-yl-1-benzofuran-7-sulfonamide

C11H12FNO3S — CID 165476264

IUPAC6-fluoro-N-propan-2-yl-1-benzofuran-7-sulfonamide
SMILESCC(C)NS(=O)(=O)c1c(F)ccc2ccoc12
InChIInChI=1S/C11H12FNO3S/c1-7(2)13-17(14,15)11-9(12)4-3-8-5-6-16-10(8)11/h3-7,13H,1-2H3
InChIKeyJYQDOVRKKDSSHZ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.26
Rot. Bonds3

About 6-fluoro-N-propan-2-yl-1-benzofuran-7-sulfonamide

6-fluoro-N-propan-2-yl-1-benzofuran-7-sulfonamide (PubChem CID 165476264) has the molecular formula C11H12FNO3S and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-fluoro-N-propan-2-yl-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound Name6-fluoro-N-propan-2-yl-1-benzofuran-7-sulfonamide
PubChem CID165476264
Molecular FormulaC11H12FNO3S
Molecular Weight257.29 g/mol
Exact Mass257.05
IUPAC Name6-fluoro-N-propan-2-yl-1-benzofuran-7-sulfonamide
SMILESCC(C)NS(=O)(=O)c1c(F)ccc2ccoc12
InChIInChI=1S/C11H12FNO3S/c1-7(2)13-17(14,15)11-9(12)4-3-8-5-6-16-10(8)11/h3-7,13H,1-2H3
InChIKeyJYQDOVRKKDSSHZ-UHFFFAOYSA-N
XLogP2.26
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,2,2-trifluoroethoxy)ethyl]dibenzo[b,d]furan-2-sulfonamide
CID 2972762
1-Benzofuran-7-sulfonyl chloride
CID 49762852
N-(1-(furan-2-yl)propan-2-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 49676485
3-Benzofuransulfonamide
CID 67273585
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
Ethyl 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetate
CID 15158745
2-[(7-Fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid
CID 15158757
5-fluoro-N-propan-2-yl-1-benzofuran-2-sulfonamide
CID 122685662
(2S)-2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 122685727
2-[(5-Fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid
CID 122693540

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-propan-2-yl-1-benzofuran-7-sulfonamide?
The IUPAC name of 6-fluoro-N-propan-2-yl-1-benzofuran-7-sulfonamide (CID 165476264) is 6-fluoro-N-propan-2-yl-1-benzofuran-7-sulfonamide.
What is the SMILES notation for 6-fluoro-N-propan-2-yl-1-benzofuran-7-sulfonamide?
The canonical SMILES for 6-fluoro-N-propan-2-yl-1-benzofuran-7-sulfonamide is CC(C)NS(=O)(=O)c1c(F)ccc2ccoc12.
What is the InChIKey of 6-fluoro-N-propan-2-yl-1-benzofuran-7-sulfonamide?
The InChIKey is JYQDOVRKKDSSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3S/c1-7(2)13-17(14,15)11-9(12)4-3-8-5-6-16-10(8)11/h3-7,13H,1-2H3.
What are the key properties of 6-fluoro-N-propan-2-yl-1-benzofuran-7-sulfonamide?
6-fluoro-N-propan-2-yl-1-benzofuran-7-sulfonamide has a molecular weight of 257.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-propan-2-yl-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 165476264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).