N-(benzenesulfonyl)-2-methylfuran-3-carboxamide

C12H11NO4S — CID 47231856

IUPACN-(benzenesulfonyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H11NO4S/c1-9-11(7-8-17-9)12(14)13-18(15,16)10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14)
InChIKeyHMFFHYPZFNZEHU-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.71
Rot. Bonds3

About N-(benzenesulfonyl)-2-methylfuran-3-carboxamide

N-(benzenesulfonyl)-2-methylfuran-3-carboxamide (PubChem CID 47231856) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-methylfuran-3-carboxamide
PubChem CID47231856
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC NameN-(benzenesulfonyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H11NO4S/c1-9-11(7-8-17-9)12(14)13-18(15,16)10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14)
InChIKeyHMFFHYPZFNZEHU-UHFFFAOYSA-N
XLogP1.71
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrazol-4-yl)sulfonyl-2-methylfuran-3-carboxamide
CID 71978749
N'-[3-(benzenesulfonyl)propanoyl]-2-methylfuran-3-carbohydrazide
CID 9472671
2-methyl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylfuran-3-carbohydrazide
CID 8615831
2-methyl-N'-(4-nitrophenyl)sulfonylfuran-3-carbohydrazide
CID 807989
N-iodo-2-methylfuran-3-carboxamide
CID 170236265
N-(2,2-diphenylethyl)-2-methylfuran-3-carboxamide
CID 78808962
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide
CID 90126567
N-[(3S)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]benzenesulfonamide
CID 95296015
ethyl 4-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]benzoate
CID 8615778
N-(benzenesulfonyl)-2-methylprop-2-enamide
CID 15084877
2-methyl-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 61262797

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-2-methylfuran-3-carboxamide (CID 47231856) is N-(benzenesulfonyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-2-methylfuran-3-carboxamide?
The InChIKey is HMFFHYPZFNZEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S/c1-9-11(7-8-17-9)12(14)13-18(15,16)10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14).
What are the key properties of N-(benzenesulfonyl)-2-methylfuran-3-carboxamide?
N-(benzenesulfonyl)-2-methylfuran-3-carboxamide has a molecular weight of 265.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 47231856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).