N-benzyl-2,4-difluoro-N-(4-methoxyphenyl)benzenesulfonamide

C20H17F2NO3S — CID 32681303

IUPACN-benzyl-2,4-difluoro-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C20H17F2NO3S/c1-26-18-10-8-17(9-11-18)23(14-15-5-3-2-4-6-15)27(24,25)20-12-7-16(21)13-19(20)22/h2-13H,14H2,1H3
InChIKeyTVKMRROWHOUNLG-UHFFFAOYSA-N
MW389.42 g/mol
LogP4.37
Rot. Bonds6

About N-benzyl-2,4-difluoro-N-(4-methoxyphenyl)benzenesulfonamide

N-benzyl-2,4-difluoro-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 32681303) has the molecular formula C20H17F2NO3S and a molecular weight of 389.42 g/mol. Its IUPAC name is N-benzyl-2,4-difluoro-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2,4-difluoro-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID32681303
Molecular FormulaC20H17F2NO3S
Molecular Weight389.42 g/mol
Exact Mass389.09
IUPAC NameN-benzyl-2,4-difluoro-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C20H17F2NO3S/c1-26-18-10-8-17(9-11-18)23(14-15-5-3-2-4-6-15)27(24,25)20-12-7-16(21)13-19(20)22/h2-13H,14H2,1H3
InChIKeyTVKMRROWHOUNLG-UHFFFAOYSA-N
XLogP4.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2,4-difluoro-N-(4-methoxyphenyl)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-benzyl-5-fluoro-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 46022824
2-(N-(2,4-difluorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide
CID 4787927
N-(2,4-difluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide
CID 126615373
N-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 162650214
4-chloro-N-[(3-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46021814
N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 46022510
2,4-difluoro-N-(4-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 20934643
N-(4-bromophenyl)-4-fluoro-N-[(3-methoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 46023288
N-(3-fluoro-4-methylphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 46014788
4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 100591331
4-fluoro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 42841605
N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 35766206

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4-difluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-benzyl-2,4-difluoro-N-(4-methoxyphenyl)benzenesulfonamide (CID 32681303) is N-benzyl-2,4-difluoro-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-2,4-difluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-2,4-difluoro-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of N-benzyl-2,4-difluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is TVKMRROWHOUNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO3S/c1-26-18-10-8-17(9-11-18)23(14-15-5-3-2-4-6-15)27(24,25)20-12-7-16(21)13-19(20)22/h2-13H,14H2,1H3.
What are the key properties of N-benzyl-2,4-difluoro-N-(4-methoxyphenyl)benzenesulfonamide?
N-benzyl-2,4-difluoro-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 389.42 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4-difluoro-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 32681303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).