N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide

C13H14N2O4S — CID 24539616

IUPACN-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccco1
InChIInChI=1S/C13H14N2O4S/c1-9-4-5-11(20(14,17)18)7-12(9)13(16)15-8-10-3-2-6-19-10/h2-7H,8H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyVKGQCVASHDCGPP-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.17
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide

N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide (PubChem CID 24539616) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide
PubChem CID24539616
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC NameN-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccco1
InChIInChI=1S/C13H14N2O4S/c1-9-4-5-11(20(14,17)18)7-12(9)13(16)15-8-10-3-2-6-19-10/h2-7H,8H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyVKGQCVASHDCGPP-UHFFFAOYSA-N
XLogP1.17
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 61290383
N-[2-[(2-methyl-5-sulfamoylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 30797230
5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 53281766
N-(furan-2-ylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 51160479
N-(furan-2-ylmethyl)-4-sulfamoylbenzamide
CID 10356308
N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655
5-(diethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylbenzamide
CID 9080458
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 34238919
3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid
CID 119237132
5-(furan-2-ylmethylsulfamoyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-2-methylbenzamide
CID 46671837
N-(2-bromoprop-2-enyl)-2-methyl-5-sulfamoylbenzamide
CID 47441864
N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide
CID 38196154

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide (CID 24539616) is N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide is Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide?
The InChIKey is VKGQCVASHDCGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-9-4-5-11(20(14,17)18)7-12(9)13(16)15-8-10-3-2-6-19-10/h2-7H,8H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide?
N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide has a molecular weight of 294.33 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 24539616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).