N-(4-bromophenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

C19H20BrFN2O3S — CID 4193185

IUPACN-(4-bromophenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(Br)cc3)c2)CC1
InChIInChI=1S/C19H20BrFN2O3S/c1-13-8-10-23(11-9-13)27(25,26)16-6-7-18(21)17(12-16)19(24)22-15-4-2-14(20)3-5-15/h2-7,12-13H,8-11H2,1H3,(H,22,24)
InChIKeyFFVFTWUPTFNVCJ-UHFFFAOYSA-N
MW455.35 g/mol
LogP4.26
Rot. Bonds4

About N-(4-bromophenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-(4-bromophenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 4193185) has the molecular formula C19H20BrFN2O3S and a molecular weight of 455.35 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID4193185
Molecular FormulaC19H20BrFN2O3S
Molecular Weight455.35 g/mol
Exact Mass454.04
IUPAC NameN-(4-bromophenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(Br)cc3)c2)CC1
InChIInChI=1S/C19H20BrFN2O3S/c1-13-8-10-23(11-9-13)27(25,26)16-6-7-18(21)17(12-16)19(24)22-15-4-2-14(20)3-5-15/h2-7,12-13H,8-11H2,1H3,(H,22,24)
InChIKeyFFVFTWUPTFNVCJ-UHFFFAOYSA-N
XLogP4.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.35
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 3702946
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 3673075
N-(4-bromophenyl)-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide
CID 15998852
2-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1186574
5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
CID 4085587
2-chloro-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 43882758
4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 9492798
5-bromo-2-butoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17349990
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 43882728
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2,5-difluorobenzamide
CID 43030164

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(4-bromophenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 4193185) is N-(4-bromophenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(4-bromophenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(4-bromophenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(Br)cc3)c2)CC1.
What is the InChIKey of N-(4-bromophenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is FFVFTWUPTFNVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O3S/c1-13-8-10-23(11-9-13)27(25,26)16-6-7-18(21)17(12-16)19(24)22-15-4-2-14(20)3-5-15/h2-7,12-13H,8-11H2,1H3,(H,22,24).
What are the key properties of N-(4-bromophenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-(4-bromophenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 455.35 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 4193185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).