2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

C20H22F2N2O3S — CID 3673075

IUPAC2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)cc1F
InChIInChI=1S/C20H22F2N2O3S/c1-13-7-9-24(10-8-13)28(26,27)16-5-6-18(21)17(12-16)20(25)23-15-4-3-14(2)19(22)11-15/h3-6,11-13H,7-10H2,1-2H3,(H,23,25)
InChIKeyBGIOJNZXYVGHDT-UHFFFAOYSA-N
MW408.47 g/mol
LogP3.95
Rot. Bonds4

About 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 3673075) has the molecular formula C20H22F2N2O3S and a molecular weight of 408.47 g/mol. Its IUPAC name is 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID3673075
Molecular FormulaC20H22F2N2O3S
Molecular Weight408.47 g/mol
Exact Mass408.13
IUPAC Name2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)cc1F
InChIInChI=1S/C20H22F2N2O3S/c1-13-7-9-24(10-8-13)28(26,27)16-5-6-18(21)17(12-16)20(25)23-15-4-3-14(2)19(22)11-15/h3-6,11-13H,7-10H2,1-2H3,(H,23,25)
InChIKeyBGIOJNZXYVGHDT-UHFFFAOYSA-N
XLogP3.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4193185
N-(4-ethylphenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 3702946
1-[4-fluoro-3-[(3-fluoro-4-methylphenyl)carbamoyl]phenyl]sulfonylpiperidine-3-carboxylate
CID 4524263
N-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluorobenzamide
CID 7032363
4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4089870
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55480057
2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 9492798
N-(3-chloro-4-methylphenyl)-2-fluoro-5-(4-propylpiperazin-1-yl)sulfonylbenzamide
CID 23958804
N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28590479
5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
CID 4085587
2-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 43882746
2-chloro-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 43882758

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 3673075) is 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)cc1F.
What is the InChIKey of 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is BGIOJNZXYVGHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3S/c1-13-7-9-24(10-8-13)28(26,27)16-5-6-18(21)17(12-16)20(25)23-15-4-3-14(2)19(22)11-15/h3-6,11-13H,7-10H2,1-2H3,(H,23,25).
What are the key properties of 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 408.47 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 3673075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).