N-[(2-chloro-3,6-difluorophenyl)methyl]-4-phenylbenzenesulfonamide

C19H14ClF2NO2S — CID 3266947

IUPACN-[(2-chloro-3,6-difluorophenyl)methyl]-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NCc1c(F)ccc(F)c1Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H14ClF2NO2S/c20-19-16(17(21)10-11-18(19)22)12-23-26(24,25)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11,23H,12H2
InChIKeyOZSFNXMZPQCUHG-UHFFFAOYSA-N
MW393.84 g/mol
LogP4.76
Rot. Bonds5

About N-[(2-chloro-3,6-difluorophenyl)methyl]-4-phenylbenzenesulfonamide

N-[(2-chloro-3,6-difluorophenyl)methyl]-4-phenylbenzenesulfonamide (PubChem CID 3266947) has the molecular formula C19H14ClF2NO2S and a molecular weight of 393.84 g/mol. Its IUPAC name is N-[(2-chloro-3,6-difluorophenyl)methyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chloro-3,6-difluorophenyl)methyl]-4-phenylbenzenesulfonamide
PubChem CID3266947
Molecular FormulaC19H14ClF2NO2S
Molecular Weight393.84 g/mol
Exact Mass393.04
IUPAC NameN-[(2-chloro-3,6-difluorophenyl)methyl]-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NCc1c(F)ccc(F)c1Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H14ClF2NO2S/c20-19-16(17(21)10-11-18(19)22)12-23-26(24,25)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11,23H,12H2
InChIKeyOZSFNXMZPQCUHG-UHFFFAOYSA-N
XLogP4.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.84
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide
CID 3778780
N-[(2-chloro-3,6-difluorophenyl)methyl]-2,4-difluorobenzenesulfonamide
CID 4994625
N-(2-chloroethyl)-4-phenylbenzenesulfonamide
CID 162435603
N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 3752569
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide
CID 5156507
4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 3734615
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
N-(4-aminobutyl)-4-phenylbenzenesulfonamide
CID 11601917
N-[(3-chloro-2,6-difluorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 5179910
3-amino-N-benzyl-4-fluorobenzenesulfonamide
CID 29272366
2-[(4-phenylphenyl)sulfonylamino]acetate
CID 6953151

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3,6-difluorophenyl)methyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[(2-chloro-3,6-difluorophenyl)methyl]-4-phenylbenzenesulfonamide (CID 3266947) is N-[(2-chloro-3,6-difluorophenyl)methyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[(2-chloro-3,6-difluorophenyl)methyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[(2-chloro-3,6-difluorophenyl)methyl]-4-phenylbenzenesulfonamide is O=S(=O)(NCc1c(F)ccc(F)c1Cl)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(2-chloro-3,6-difluorophenyl)methyl]-4-phenylbenzenesulfonamide?
The InChIKey is OZSFNXMZPQCUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2NO2S/c20-19-16(17(21)10-11-18(19)22)12-23-26(24,25)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11,23H,12H2.
What are the key properties of N-[(2-chloro-3,6-difluorophenyl)methyl]-4-phenylbenzenesulfonamide?
N-[(2-chloro-3,6-difluorophenyl)methyl]-4-phenylbenzenesulfonamide has a molecular weight of 393.84 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3,6-difluorophenyl)methyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 3266947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).