N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

C17H20N2O4S — CID 6458669

IUPACN-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N1CCCC1
InChIInChI=1S/C17H20N2O4S/c1-13-6-7-15(11-16(13)17(20)19-8-2-3-9-19)24(21,22)18-12-14-5-4-10-23-14/h4-7,10-11,18H,2-3,8-9,12H2,1H3
InChIKeyUUJFETZFWSJSAE-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.30
Rot. Bonds5

About N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 6458669) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID6458669
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N1CCCC1
InChIInChI=1S/C17H20N2O4S/c1-13-6-7-15(11-16(13)17(20)19-8-2-3-9-19)24(21,22)18-12-14-5-4-10-23-14/h4-7,10-11,18H,2-3,8-9,12H2,1H3
InChIKeyUUJFETZFWSJSAE-UHFFFAOYSA-N
XLogP2.30
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 55654720
1-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55601232
N-ethyl-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 27658634
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 55981661
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 43002494
5-(furan-2-ylmethylsulfamoyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 46446715
4-methyl-N-(pyridin-2-ylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6493048
2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 18099904
N-benzyl-4-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 4808018
N-(furan-2-ylmethyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183075
3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid
CID 119237132
methyl 6-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]hexanoate
CID 55349906

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 6458669) is N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N1CCCC1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is UUJFETZFWSJSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-13-6-7-15(11-16(13)17(20)19-8-2-3-9-19)24(21,22)18-12-14-5-4-10-23-14/h4-7,10-11,18H,2-3,8-9,12H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 348.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 6458669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).