N-(2,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide

C19H20F2N2O3S — CID 109061537

IUPACN-(2,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)cc2)C1
InChIInChI=1S/C19H20F2N2O3S/c1-13-3-2-10-23(12-13)19(24)14-4-7-16(8-5-14)27(25,26)22-18-9-6-15(20)11-17(18)21/h4-9,11,13,22H,2-3,10,12H2,1H3
InChIKeyKNCWZQVVJULYSG-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.64
Rot. Bonds4

About N-(2,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide

N-(2,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 109061537) has the molecular formula C19H20F2N2O3S and a molecular weight of 394.44 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID109061537
Molecular FormulaC19H20F2N2O3S
Molecular Weight394.44 g/mol
Exact Mass394.12
IUPAC NameN-(2,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)cc2)C1
InChIInChI=1S/C19H20F2N2O3S/c1-13-3-2-10-23(12-13)19(24)14-4-7-16(8-5-14)27(25,26)22-18-9-6-15(20)11-17(18)21/h4-9,11,13,22H,2-3,10,12H2,1H3
InChIKeyKNCWZQVVJULYSG-UHFFFAOYSA-N
XLogP3.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[5-(3-methylpiperidine-1-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide
CID 46333184
N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109061527
N-(2-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 24816556
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
N-tert-butyl-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 18105340
N-(2,4-difluorophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107554
N-(2,4-difluorophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090432
N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463
4-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 17492250
4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 25497663
N-[5-[(3S)-3-methylpiperidine-1-carbonyl]-2-piperazin-1-ylphenyl]-4-propylbenzenesulfonamide
CID 92872204
2-(2,4-difluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110488890

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide (CID 109061537) is N-(2,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide is CC1CCCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)cc2)C1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is KNCWZQVVJULYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3S/c1-13-3-2-10-23(12-13)19(24)14-4-7-16(8-5-14)27(25,26)22-18-9-6-15(20)11-17(18)21/h4-9,11,13,22H,2-3,10,12H2,1H3.
What are the key properties of N-(2,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
N-(2,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 394.44 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109061537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).