3-chloro-5-[2-(furan-2-yl)piperidin-1-yl]sulfonyl-N,4-dimethylbenzamide

C18H21ClN2O4S — CID 155951772

IUPAC3-chloro-5-[2-(furan-2-yl)piperidin-1-yl]sulfonyl-N,4-dimethylbenzamide
SMILESCNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCCCC2c2ccco2)c1
InChIInChI=1S/C18H21ClN2O4S/c1-12-14(19)10-13(18(22)20-2)11-17(12)26(23,24)21-8-4-3-6-15(21)16-7-5-9-25-16/h5,7,9-11,15H,3-4,6,8H2,1-2H3,(H,20,22)
InChIKeyXTZNBENNGUHVDA-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.52
Rot. Bonds4

About 3-chloro-5-[2-(furan-2-yl)piperidin-1-yl]sulfonyl-N,4-dimethylbenzamide

3-chloro-5-[2-(furan-2-yl)piperidin-1-yl]sulfonyl-N,4-dimethylbenzamide (PubChem CID 155951772) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 3-chloro-5-[2-(furan-2-yl)piperidin-1-yl]sulfonyl-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-chloro-5-[2-(furan-2-yl)piperidin-1-yl]sulfonyl-N,4-dimethylbenzamide
PubChem CID155951772
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name3-chloro-5-[2-(furan-2-yl)piperidin-1-yl]sulfonyl-N,4-dimethylbenzamide
SMILESCNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCCCC2c2ccco2)c1
InChIInChI=1S/C18H21ClN2O4S/c1-12-14(19)10-13(18(22)20-2)11-17(12)26(23,24)21-8-4-3-6-15(21)16-7-5-9-25-16/h5,7,9-11,15H,3-4,6,8H2,1-2H3,(H,20,22)
InChIKeyXTZNBENNGUHVDA-UHFFFAOYSA-N
XLogP3.52
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-difluoro-5-[2-(furan-2-yl)azepan-1-yl]sulfonylbenzoic acid
CID 167896052
(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51550818
N-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 20895730
(2R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(furan-2-yl)pyrrolidine
CID 51550831
1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 20895729
(2R)-1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 51550819
4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-dimethylimidazole
CID 95770618
(2S)-N-(3-chloro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51550968
1-(3-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 43361313
(3S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 96510678
1-ethyl-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethylpyrazole
CID 95780301
N-[2-chloro-5-(methylcarbamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 87046974

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-(furan-2-yl)piperidin-1-yl]sulfonyl-N,4-dimethylbenzamide?
The IUPAC name of 3-chloro-5-[2-(furan-2-yl)piperidin-1-yl]sulfonyl-N,4-dimethylbenzamide (CID 155951772) is 3-chloro-5-[2-(furan-2-yl)piperidin-1-yl]sulfonyl-N,4-dimethylbenzamide.
What is the SMILES notation for 3-chloro-5-[2-(furan-2-yl)piperidin-1-yl]sulfonyl-N,4-dimethylbenzamide?
The canonical SMILES for 3-chloro-5-[2-(furan-2-yl)piperidin-1-yl]sulfonyl-N,4-dimethylbenzamide is CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCCCC2c2ccco2)c1.
What is the InChIKey of 3-chloro-5-[2-(furan-2-yl)piperidin-1-yl]sulfonyl-N,4-dimethylbenzamide?
The InChIKey is XTZNBENNGUHVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-12-14(19)10-13(18(22)20-2)11-17(12)26(23,24)21-8-4-3-6-15(21)16-7-5-9-25-16/h5,7,9-11,15H,3-4,6,8H2,1-2H3,(H,20,22).
What are the key properties of 3-chloro-5-[2-(furan-2-yl)piperidin-1-yl]sulfonyl-N,4-dimethylbenzamide?
3-chloro-5-[2-(furan-2-yl)piperidin-1-yl]sulfonyl-N,4-dimethylbenzamide has a molecular weight of 396.90 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-(furan-2-yl)piperidin-1-yl]sulfonyl-N,4-dimethylbenzamide is sourced from PubChem (CID 155951772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).