N-(furan-2-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzenesulfonamide

C17H20N2O4S — CID 110733738

IUPACN-(furan-2-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzenesulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C17H20N2O4S/c1-18(13-15-5-4-12-23-15)24(21,22)16-9-7-14(8-10-16)19-11-3-2-6-17(19)20/h4-5,7-10,12H,2-3,6,11,13H2,1H3
InChIKeyCICXDXRBQHKVHI-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.62
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzenesulfonamide

N-(furan-2-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzenesulfonamide (PubChem CID 110733738) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzenesulfonamide
PubChem CID110733738
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzenesulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C17H20N2O4S/c1-18(13-15-5-4-12-23-15)24(21,22)16-9-7-14(8-10-16)19-11-3-2-6-17(19)20/h4-5,7-10,12H,2-3,6,11,13H2,1H3
InChIKeyCICXDXRBQHKVHI-UHFFFAOYSA-N
XLogP2.62
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 40988381
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
N-[(2-ethoxyphenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 94605999
N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 51169518
N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49237525
N-[3-(furan-2-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 53284122
4-(cyanomethyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 79185156
3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526678
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 19614551
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 19614574
N-(furan-2-ylmethyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43527164
4-(2-oxopyrrolidin-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 24511008

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzenesulfonamide (CID 110733738) is N-(furan-2-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzenesulfonamide is CN(Cc1ccco1)S(=O)(=O)c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzenesulfonamide?
The InChIKey is CICXDXRBQHKVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-18(13-15-5-4-12-23-15)24(21,22)16-9-7-14(8-10-16)19-11-3-2-6-17(19)20/h4-5,7-10,12H,2-3,6,11,13H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzenesulfonamide?
N-(furan-2-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzenesulfonamide has a molecular weight of 348.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 110733738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).