2,4-difluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide

C19H23F2N3O2S — CID 166200999

IUPAC2,4-difluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide
SMILESCN1CCC(N(C)c2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2)CC1
InChIInChI=1S/C19H23F2N3O2S/c1-23-11-9-17(10-12-23)24(2)16-6-4-15(5-7-16)22-27(25,26)19-8-3-14(20)13-18(19)21/h3-8,13,17,22H,9-12H2,1-2H3
InChIKeyCPWVRDNGEOZEKK-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.30
Rot. Bonds5

About 2,4-difluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide

2,4-difluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide (PubChem CID 166200999) has the molecular formula C19H23F2N3O2S and a molecular weight of 395.48 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide
PubChem CID166200999
Molecular FormulaC19H23F2N3O2S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC Name2,4-difluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide
SMILESCN1CCC(N(C)c2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2)CC1
InChIInChI=1S/C19H23F2N3O2S/c1-23-11-9-17(10-12-23)24(2)16-6-4-15(5-7-16)22-27(25,26)19-8-3-14(20)13-18(19)21/h3-8,13,17,22H,9-12H2,1-2H3
InChIKeyCPWVRDNGEOZEKK-UHFFFAOYSA-N
XLogP3.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide
CID 3377300
2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 31073462
1-N,4-N-dimethyl-4-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine
CID 117041410
2,4-difluoro-6-hydroxy-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide
CID 71883384
1-cyclopropyl-3-[4-[(2,4-difluorophenyl)sulfonylamino]phenyl]urea
CID 134025769
4-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide
CID 116528159
N-[2-(dimethylamino)pyrimidin-5-yl]-2,4-difluorobenzenesulfonamide
CID 91968201
2,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 78828374
N-[4-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide
CID 65030660
2,4-difluoro-N-[4-[[6-[1-[(1-methylpiperidin-4-yl)methyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 69135721
2,4-difluoro-N-[4-(4-methylphenoxy)phenyl]benzenesulfonamide
CID 2494967
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,4-difluorobenzenesulfonamide
CID 36590901

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide (CID 166200999) is 2,4-difluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide is CN1CCC(N(C)c2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2)CC1.
What is the InChIKey of 2,4-difluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is CPWVRDNGEOZEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O2S/c1-23-11-9-17(10-12-23)24(2)16-6-4-15(5-7-16)22-27(25,26)19-8-3-14(20)13-18(19)21/h3-8,13,17,22H,9-12H2,1-2H3.
What are the key properties of 2,4-difluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide?
2,4-difluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 395.48 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 166200999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).