N-ethyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide

C15H21FN2O3S — CID 27241519

IUPACN-ethyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C15H21FN2O3S/c1-3-17-15(19)12-4-5-13(16)14(10-12)22(20,21)18-8-6-11(2)7-9-18/h4-5,10-11H,3,6-9H2,1-2H3,(H,17,19)
InChIKeyBNWINGMIBXFCHG-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.00
Rot. Bonds4

About N-ethyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-ethyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 27241519) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is N-ethyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID27241519
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC NameN-ethyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C15H21FN2O3S/c1-3-17-15(19)12-4-5-13(16)14(10-12)22(20,21)18-8-6-11(2)7-9-18/h4-5,10-11H,3,6-9H2,1-2H3,(H,17,19)
InChIKeyBNWINGMIBXFCHG-UHFFFAOYSA-N
XLogP2.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 27241165
4-fluoro-3-(4-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 27241778
N-(3,5-dichlorophenyl)-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4075000
4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4089870
4-fluoro-3-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27242260
N-[1-(ethylcarbamoyl)cyclohexyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55967795
4-fluoro-N-(2-hydroxypropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 78856177
N-(3,4-difluorophenyl)-4-fluoro-3-(4-hydroxy-5-methylazepan-1-yl)sulfonylbenzamide
CID 118230125
4-fluoro-N-pentan-2-yl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 42955661
4-fluoro-N-[(2R)-pentan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37031936
N-(4-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 1333013
N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349269

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-ethyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 27241519) is N-ethyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-ethyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-ethyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide is CCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCC(C)CC2)c1.
What is the InChIKey of N-ethyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is BNWINGMIBXFCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-3-17-15(19)12-4-5-13(16)14(10-12)22(20,21)18-8-6-11(2)7-9-18/h4-5,10-11H,3,6-9H2,1-2H3,(H,17,19).
What are the key properties of N-ethyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-ethyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 328.41 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 27241519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).