N-(3-chloro-4-fluorophenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide

C19H20ClFN2O3S — CID 9096526

IUPACN-(3-chloro-4-fluorophenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
SMILESC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H20ClFN2O3S/c1-13-4-2-3-11-23(13)27(25,26)16-8-5-14(6-9-16)19(24)22-15-7-10-18(21)17(20)12-15/h5-10,12-13H,2-4,11H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeyJJLCXUROBBGQCP-ZDUSSCGKSA-N
MW410.90 g/mol
LogP4.29
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide

N-(3-chloro-4-fluorophenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide (PubChem CID 9096526) has the molecular formula C19H20ClFN2O3S and a molecular weight of 410.90 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
PubChem CID9096526
Molecular FormulaC19H20ClFN2O3S
Molecular Weight410.90 g/mol
Exact Mass410.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
SMILESC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H20ClFN2O3S/c1-13-4-2-3-11-23(13)27(25,26)16-8-5-14(6-9-16)19(24)22-15-7-10-18(21)17(20)12-15/h5-10,12-13H,2-4,11H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeyJJLCXUROBBGQCP-ZDUSSCGKSA-N
XLogP4.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8762440
N-(3-chloro-4-fluorophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 2683094
N-(4-chloro-2-methylphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8780251
4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide
CID 3267062
N-(3-acetylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9095769
N-(1,3-benzodioxol-5-yl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8701103
4-chloro-N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41121275
1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)piperidine-2-carboxamide
CID 4312654
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 42905167
4-butoxy-3,5-dichloro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 18848779
N-(4-chloro-3-nitrophenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55363490

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide (CID 9096526) is N-(3-chloro-4-fluorophenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide is C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The InChIKey is JJLCXUROBBGQCP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20ClFN2O3S/c1-13-4-2-3-11-23(13)27(25,26)16-8-5-14(6-9-16)19(24)22-15-7-10-18(21)17(20)12-15/h5-10,12-13H,2-4,11H2,1H3,(H,22,24)/t13-/m0/s1.
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide?
N-(3-chloro-4-fluorophenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide has a molecular weight of 410.90 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 9096526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).