N-(2,3-dihydro-1-benzofuran-5-yl)-5-sulfamoylfuran-2-carboxamide

C13H12N2O5S — CID 112522621

IUPACN-(2,3-dihydro-1-benzofuran-5-yl)-5-sulfamoylfuran-2-carboxamide
SMILESNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCO3)o1
InChIInChI=1S/C13H12N2O5S/c14-21(17,18)12-4-3-11(20-12)13(16)15-9-1-2-10-8(7-9)5-6-19-10/h1-4,7H,5-6H2,(H,15,16)(H2,14,17,18)
InChIKeyQGOHKKLRRYVRCJ-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.11
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-5-yl)-5-sulfamoylfuran-2-carboxamide

N-(2,3-dihydro-1-benzofuran-5-yl)-5-sulfamoylfuran-2-carboxamide (PubChem CID 112522621) has the molecular formula C13H12N2O5S and a molecular weight of 308.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-yl)-5-sulfamoylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-yl)-5-sulfamoylfuran-2-carboxamide
PubChem CID112522621
Molecular FormulaC13H12N2O5S
Molecular Weight308.31 g/mol
Exact Mass308.05
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-yl)-5-sulfamoylfuran-2-carboxamide
SMILESNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCO3)o1
InChIInChI=1S/C13H12N2O5S/c14-21(17,18)12-4-3-11(20-12)13(16)15-9-1-2-10-8(7-9)5-6-19-10/h1-4,7H,5-6H2,(H,15,16)(H2,14,17,18)
InChIKeyQGOHKKLRRYVRCJ-UHFFFAOYSA-N
XLogP1.11
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)furan-2-carboxamide
CID 34441377
N-(1-methyl-2,3-dihydroindol-5-yl)-5-sulfamoylfuran-2-carboxamide
CID 112523453
4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide
CID 102851182
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866610
2-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 43701447
[4-(2,3-dihydro-1-benzofuran-5-ylcarbamoylamino)phenyl] sulfamate
CID 70694605
N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62198465
2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide
CID 38558640
N-(4-acetylphenyl)-5-sulfamoylfuran-2-carboxamide
CID 84575705
N-[4-(2-amino-2-oxoethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 31862131
5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxybenzamide
CID 38558716
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643754

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-5-sulfamoylfuran-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-5-sulfamoylfuran-2-carboxamide (CID 112522621) is N-(2,3-dihydro-1-benzofuran-5-yl)-5-sulfamoylfuran-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-yl)-5-sulfamoylfuran-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-yl)-5-sulfamoylfuran-2-carboxamide is NS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCO3)o1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-yl)-5-sulfamoylfuran-2-carboxamide?
The InChIKey is QGOHKKLRRYVRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S/c14-21(17,18)12-4-3-11(20-12)13(16)15-9-1-2-10-8(7-9)5-6-19-10/h1-4,7H,5-6H2,(H,15,16)(H2,14,17,18).
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-yl)-5-sulfamoylfuran-2-carboxamide?
N-(2,3-dihydro-1-benzofuran-5-yl)-5-sulfamoylfuran-2-carboxamide has a molecular weight of 308.31 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-yl)-5-sulfamoylfuran-2-carboxamide is sourced from PubChem (CID 112522621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).