N-(2-fluorophenyl)-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide

C19H21FN2O3S — CID 8707607

IUPACN-(2-fluorophenyl)-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1CCCCC1
InChIInChI=1S/C19H21FN2O3S/c1-14-9-10-15(13-16(14)19(23)22-11-5-2-6-12-22)26(24,25)21-18-8-4-3-7-17(18)20/h3-4,7-10,13,21H,2,5-6,11-12H2,1H3
InChIKeyBUORCPLQMAZLIR-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.56
Rot. Bonds4

About N-(2-fluorophenyl)-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide

N-(2-fluorophenyl)-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide (PubChem CID 8707607) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
PubChem CID8707607
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-(2-fluorophenyl)-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1CCCCC1
InChIInChI=1S/C19H21FN2O3S/c1-14-9-10-15(13-16(14)19(23)22-11-5-2-6-12-22)26(24,25)21-18-8-4-3-7-17(18)20/h3-4,7-10,13,21H,2,5-6,11-12H2,1H3
InChIKeyBUORCPLQMAZLIR-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-(1,4-diazepane-1-carbonyl)-4-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 119416470
4-methyl-N-(2-methylphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 56550836
N-cyclopropyl-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26693958
N-ethyl-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 27658634
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-fluoro-4-methylbenzenesulfonamide
CID 60534962
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
N-(2-fluorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 34857283
N-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 17492426
N-(2-fluorophenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945185
3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 55645981
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 119411385
azepan-1-yl-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 2344798

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2-fluorophenyl)-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide (CID 8707607) is N-(2-fluorophenyl)-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1CCCCC1.
What is the InChIKey of N-(2-fluorophenyl)-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is BUORCPLQMAZLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-14-9-10-15(13-16(14)19(23)22-11-5-2-6-12-22)26(24,25)21-18-8-4-3-7-17(18)20/h3-4,7-10,13,21H,2,5-6,11-12H2,1H3.
What are the key properties of N-(2-fluorophenyl)-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide?
N-(2-fluorophenyl)-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide 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-fluorophenyl)-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 8707607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).