N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide

C18H24N2O5S2 — CID 55559240

IUPACN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)NCC(c2ccco2)N2CCCCC2)c1
InChIInChI=1S/C18H24N2O5S2/c1-26(21,22)15-7-5-8-16(13-15)27(23,24)19-14-17(18-9-6-12-25-18)20-10-3-2-4-11-20/h5-9,12-13,17,19H,2-4,10-11,14H2,1H3
InChIKeyKRZNFKZJZHKSTL-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.19
Rot. Bonds7

About N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide (PubChem CID 55559240) has the molecular formula C18H24N2O5S2 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide
PubChem CID55559240
Molecular FormulaC18H24N2O5S2
Molecular Weight412.53 g/mol
Exact Mass412.11
IUPAC NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)NCC(c2ccco2)N2CCCCC2)c1
InChIInChI=1S/C18H24N2O5S2/c1-26(21,22)15-7-5-8-16(13-15)27(23,24)19-14-17(18-9-6-12-25-18)20-10-3-2-4-11-20/h5-9,12-13,17,19H,2-4,10-11,14H2,1H3
InChIKeyKRZNFKZJZHKSTL-UHFFFAOYSA-N
XLogP2.19
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methylsulfonylbenzenesulfonamide
CID 47070129
methyl 3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]benzoate
CID 47019084
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 51169408
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide
CID 47030334
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide
CID 51076118
N-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 2468130
4-[[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 124705074
N-(ethylsulfamoyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 110621642
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 55540133
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide
CID 4883203
N-[[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]sulfamoyl]propan-1-amine
CID 110621685
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55330425

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide (CID 55559240) is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide is CS(=O)(=O)c1cccc(S(=O)(=O)NCC(c2ccco2)N2CCCCC2)c1.
What is the InChIKey of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide?
The InChIKey is KRZNFKZJZHKSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S2/c1-26(21,22)15-7-5-8-16(13-15)27(23,24)19-14-17(18-9-6-12-25-18)20-10-3-2-4-11-20/h5-9,12-13,17,19H,2-4,10-11,14H2,1H3.
What are the key properties of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide?
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide has a molecular weight of 412.53 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 55559240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).