2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide

C19H22FN3O3S — CID 119386020

IUPAC2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)NC1CCNCC1
InChIInChI=1S/C19H22FN3O3S/c1-13-12-14(20)6-7-18(13)27(25,26)23-17-5-3-2-4-16(17)19(24)22-15-8-10-21-11-9-15/h2-7,12,15,21,23H,8-11H2,1H3,(H,22,24)
InChIKeyRSVTYGJAFUOUKV-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.42
Rot. Bonds5

About 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide

2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide (PubChem CID 119386020) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide
PubChem CID119386020
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC Name2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)NC1CCNCC1
InChIInChI=1S/C19H22FN3O3S/c1-13-12-14(20)6-7-18(13)27(25,26)23-17-5-3-2-4-16(17)19(24)22-15-8-10-21-11-9-15/h2-7,12,15,21,23H,8-11H2,1H3,(H,22,24)
InChIKeyRSVTYGJAFUOUKV-UHFFFAOYSA-N
XLogP2.42
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 8762838
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 55390190
4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 28810997
5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389522
N-[2-(ethylamino)ethyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119504864
2-(ethylsulfonylamino)-N-piperidin-4-ylbenzamide
CID 119389714
N-(3,5-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide
CID 2334103
N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 2360003
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-piperidin-4-ylbenzamide
CID 119386331
propan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 16619625
2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81459818
N-(3-amino-2-methylpropyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119998287

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide?
The IUPAC name of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide (CID 119386020) is 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide?
The canonical SMILES for 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide is Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)NC1CCNCC1.
What is the InChIKey of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide?
The InChIKey is RSVTYGJAFUOUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-13-12-14(20)6-7-18(13)27(25,26)23-17-5-3-2-4-16(17)19(24)22-15-8-10-21-11-9-15/h2-7,12,15,21,23H,8-11H2,1H3,(H,22,24).
What are the key properties of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide?
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide has a molecular weight of 391.47 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 119386020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).