2-benzoyl-1-benzofuran-3-sulfonamide

C15H11NO4S — CID 70614621

IUPAC2-benzoyl-1-benzofuran-3-sulfonamide
SMILESNS(=O)(=O)c1c(C(=O)c2ccccc2)oc2ccccc12
InChIInChI=1S/C15H11NO4S/c16-21(18,19)15-11-8-4-5-9-12(11)20-14(15)13(17)10-6-2-1-3-7-10/h1-9H,(H2,16,18,19)
InChIKeySMYDCYFSJGITDJ-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.31
Rot. Bonds3

About 2-benzoyl-1-benzofuran-3-sulfonamide

2-benzoyl-1-benzofuran-3-sulfonamide (PubChem CID 70614621) has the molecular formula C15H11NO4S and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-benzoyl-1-benzofuran-3-sulfonamide.

Molecular Properties

Compound Name2-benzoyl-1-benzofuran-3-sulfonamide
PubChem CID70614621
Molecular FormulaC15H11NO4S
Molecular Weight301.32 g/mol
Exact Mass301.04
IUPAC Name2-benzoyl-1-benzofuran-3-sulfonamide
SMILESNS(=O)(=O)c1c(C(=O)c2ccccc2)oc2ccccc12
InChIInChI=1S/C15H11NO4S/c16-21(18,19)15-11-8-4-5-9-12(11)20-14(15)13(17)10-6-2-1-3-7-10/h1-9H,(H2,16,18,19)
InChIKeySMYDCYFSJGITDJ-UHFFFAOYSA-N
XLogP2.31
TPSA90.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chlorosulfonyl-1-benzofuran-2-carboxylic acid
CID 155233697
methyl 2-(2-benzoyl-1-benzofuran-3-yl)propanoate
CID 91663330
[3-[4-(dimethylamino)phenyl]-1-benzofuran-2-yl]-phenylmethanone
CID 57336949
phenyl-[3-(phenylsulfanylmethyl)-1-benzofuran-2-yl]methanone
CID 1476424
(3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone
CID 619566
phenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone
CID 57336948
2-carboxy-1-benzofuran-3-olate
CID 54715094
3-(2-carboxy-1-benzofuran-3-yl)-1-benzofuran-2-carboxylic acid
CID 164666500
4-benzoylbenzenesulfonamide
CID 70209200
[3-[[amino(naphthalen-1-yl)methyl]amino]-1-benzofuran-2-yl]-phenylmethanone
CID 110827191
3-phenyl-1-benzofuran-2-carboxylic acid
CID 13432338
3-benzoyl-4-hydroxychromen-2-one
CID 135407308

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-1-benzofuran-3-sulfonamide?
The IUPAC name of 2-benzoyl-1-benzofuran-3-sulfonamide (CID 70614621) is 2-benzoyl-1-benzofuran-3-sulfonamide.
What is the SMILES notation for 2-benzoyl-1-benzofuran-3-sulfonamide?
The canonical SMILES for 2-benzoyl-1-benzofuran-3-sulfonamide is NS(=O)(=O)c1c(C(=O)c2ccccc2)oc2ccccc12.
What is the InChIKey of 2-benzoyl-1-benzofuran-3-sulfonamide?
The InChIKey is SMYDCYFSJGITDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4S/c16-21(18,19)15-11-8-4-5-9-12(11)20-14(15)13(17)10-6-2-1-3-7-10/h1-9H,(H2,16,18,19).
What are the key properties of 2-benzoyl-1-benzofuran-3-sulfonamide?
2-benzoyl-1-benzofuran-3-sulfonamide has a molecular weight of 301.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-1-benzofuran-3-sulfonamide is sourced from PubChem (CID 70614621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).