4-fluoro-N-[4-[(3-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide

C19H22FN3O3S — CID 120724923

IUPAC4-fluoro-N-[4-[(3-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide
SMILESCC1CNCCC1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FN3O3S/c1-13-12-21-11-10-18(13)23-27(25,26)17-8-6-16(7-9-17)22-19(24)14-2-4-15(20)5-3-14/h2-9,13,18,21,23H,10-12H2,1H3,(H,22,24)
InChIKeyVZBMTTVURVWUJT-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.35
Rot. Bonds5

About 4-fluoro-N-[4-[(3-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide

4-fluoro-N-[4-[(3-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide (PubChem CID 120724923) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-fluoro-N-[4-[(3-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[(3-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide
PubChem CID120724923
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC Name4-fluoro-N-[4-[(3-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide
SMILESCC1CNCCC1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FN3O3S/c1-13-12-21-11-10-18(13)23-27(25,26)17-8-6-16(7-9-17)22-19(24)14-2-4-15(20)5-3-14/h2-9,13,18,21,23H,10-12H2,1H3,(H,22,24)
InChIKeyVZBMTTVURVWUJT-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 120725183
4-(cycloheptylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 109061223
4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725276
4-fluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
CID 104826095
N-[4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]phenyl]-4-fluorobenzamide;hydrochloride
CID 119985454
N-(3-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
CID 120724798
2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725186
N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride
CID 120556844
N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 64907614
4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
CID 124516981
N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390
4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[(3-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[(3-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide (CID 120724923) is 4-fluoro-N-[4-[(3-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[(3-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[(3-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide is CC1CNCCC1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[4-[(3-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is VZBMTTVURVWUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-13-12-21-11-10-18(13)23-27(25,26)17-8-6-16(7-9-17)22-19(24)14-2-4-15(20)5-3-14/h2-9,13,18,21,23H,10-12H2,1H3,(H,22,24).
What are the key properties of 4-fluoro-N-[4-[(3-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide?
4-fluoro-N-[4-[(3-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 391.47 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[(3-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 120724923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).