2,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzenesulfonamide

C17H18F2N2O2S — CID 78828374

IUPAC2,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(F)cc2F)ccc1N1CCCC1
InChIInChI=1S/C17H18F2N2O2S/c1-12-10-14(5-6-16(12)21-8-2-3-9-21)20-24(22,23)17-7-4-13(18)11-15(17)19/h4-7,10-11,20H,2-3,8-9H2,1H3
InChIKeyBRNDQEQOSKNLNU-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.67
Rot. Bonds4

About 2,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzenesulfonamide

2,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzenesulfonamide (PubChem CID 78828374) has the molecular formula C17H18F2N2O2S and a molecular weight of 352.41 g/mol. Its IUPAC name is 2,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzenesulfonamide
PubChem CID78828374
Molecular FormulaC17H18F2N2O2S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name2,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(F)cc2F)ccc1N1CCCC1
InChIInChI=1S/C17H18F2N2O2S/c1-12-10-14(5-6-16(12)21-8-2-3-9-21)20-24(22,23)17-7-4-13(18)11-15(17)19/h4-7,10-11,20H,2-3,8-9H2,1H3
InChIKeyBRNDQEQOSKNLNU-UHFFFAOYSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 78836615
2-(azocan-1-yl)-5-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 46292221
2,4-difluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 121032487
2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 31073462
1-(4-fluorophenyl)sulfonyl-3-(3-methyl-4-pyrrolidin-1-ylphenyl)urea
CID 1494097
N-[3-(azepan-1-ylsulfonyl)phenyl]-2,4-difluorobenzenesulfonamide
CID 4996463
1-(4-fluoro-2-methylphenyl)piperidine;methanol
CID 159526986
2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811743
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
4-chloro-2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 26978979
N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide
CID 43551083
2,4-difluoro-N-[4-(4-methylphenoxy)phenyl]benzenesulfonamide
CID 2494967

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzenesulfonamide (CID 78828374) is 2,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(F)cc2F)ccc1N1CCCC1.
What is the InChIKey of 2,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzenesulfonamide?
The InChIKey is BRNDQEQOSKNLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2S/c1-12-10-14(5-6-16(12)21-8-2-3-9-21)20-24(22,23)17-7-4-13(18)11-15(17)19/h4-7,10-11,20H,2-3,8-9H2,1H3.
What are the key properties of 2,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzenesulfonamide?
2,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzenesulfonamide has a molecular weight of 352.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 78828374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).