N-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide

C19H21FN2O3S — CID 26522940

IUPACN-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(F)c1
InChIInChI=1S/C19H21FN2O3S/c1-14-8-9-18(17(20)12-14)21-19(23)15-6-5-7-16(13-15)26(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3,(H,21,23)
InChIKeyKHFPHEKOEAUVRW-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.56
Rot. Bonds4

About N-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide

N-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 26522940) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID26522940
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(F)c1
InChIInChI=1S/C19H21FN2O3S/c1-14-8-9-18(17(20)12-14)21-19(23)15-6-5-7-16(13-15)26(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3,(H,21,23)
InChIKeyKHFPHEKOEAUVRW-UHFFFAOYSA-N
XLogP3.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-(2,5-difluorophenyl)benzamide
CID 2711406
3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)benzamide
CID 9119993
N-(2-methylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688908
N-(2-aminophenyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119422102
N-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 120569015
N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 118695530
3-(azepan-1-ylsulfonyl)-N-(2-fluoro-5-nitrophenyl)benzamide
CID 2370710
4-fluoro-N-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 18893490
3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2329024
N-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 7688667
N-(3,5-difluoro-4-methoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 87031517
N-(2-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 60597425

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide (CID 26522940) is N-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is KHFPHEKOEAUVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-14-8-9-18(17(20)12-14)21-19(23)15-6-5-7-16(13-15)26(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3,(H,21,23).
What are the key properties of N-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
N-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 376.45 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26522940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).