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

C20H23FN2O3S — CID 3275798

IUPAC4-fluoro-N-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C20H23FN2O3S/c1-14-6-5-11-23(13-14)27(25,26)19-12-16(9-10-17(19)21)20(24)22-18-8-4-3-7-15(18)2/h3-4,7-10,12,14H,5-6,11,13H2,1-2H3,(H,22,24)
InChIKeySJFJHVHFHNZUIK-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.81
Rot. Bonds4

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

4-fluoro-N-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 3275798) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-fluoro-N-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID3275798
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name4-fluoro-N-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C20H23FN2O3S/c1-14-6-5-11-23(13-14)27(25,26)19-12-16(9-10-17(19)21)20(24)22-18-8-4-3-7-15(18)2/h3-4,7-10,12,14H,5-6,11,13H2,1-2H3,(H,22,24)
InChIKeySJFJHVHFHNZUIK-UHFFFAOYSA-N
XLogP3.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2,3-dimethylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 42992443
4-chloro-N-(2,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 26359533
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-4-fluoro-N-(2-methylphenyl)benzamide
CID 3275797
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157
N-(4-bromo-2-fluorophenyl)-4-chloro-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 41080630
N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 6503536
N-(4-bromo-2-methylphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46450377
N-[2-(cyclopropylcarbamoyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37029500
4-fluoro-3-(4-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 27241778
4-chloro-N-(2-methyl-3-nitrophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 26796754
methyl 3-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]-4-methylbenzoate
CID 26864762
N-(2-benzylphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37024629

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of 4-fluoro-N-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide (CID 3275798) is 4-fluoro-N-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 4-fluoro-N-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for 4-fluoro-N-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide is Cc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC(C)C2)c1.
What is the InChIKey of 4-fluoro-N-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is SJFJHVHFHNZUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-14-6-5-11-23(13-14)27(25,26)19-12-16(9-10-17(19)21)20(24)22-18-8-4-3-7-15(18)2/h3-4,7-10,12,14H,5-6,11,13H2,1-2H3,(H,22,24).
What are the key properties of 4-fluoro-N-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide?
4-fluoro-N-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 390.48 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 3275798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).