N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide

C19H15ClFNO2S — CID 42841577

IUPACN-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClFNO2S/c20-16-10-12-17(13-11-16)22(14-15-6-4-5-9-19(15)21)25(23,24)18-7-2-1-3-8-18/h1-13H,14H2
InChIKeyVPMHHNGROXTNPQ-UHFFFAOYSA-N
MW375.85 g/mol
LogP4.87
Rot. Bonds5

About N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide

N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 42841577) has the molecular formula C19H15ClFNO2S and a molecular weight of 375.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
PubChem CID42841577
Molecular FormulaC19H15ClFNO2S
Molecular Weight375.85 g/mol
Exact Mass375.05
IUPAC NameN-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClFNO2S/c20-16-10-12-17(13-11-16)22(14-15-6-4-5-9-19(15)21)25(23,24)18-7-2-1-3-8-18/h1-13H,14H2
InChIKeyVPMHHNGROXTNPQ-UHFFFAOYSA-N
XLogP4.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-phenylbenzenesulfonamide
CID 967232
N-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 46152460
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 42841700
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-4-nitrobenzenesulfonamide
CID 46022288
4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46152500
N-[(5-chloro-2-hydroxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 54532776
(2S)-2-[[2-[N-(benzenesulfonyl)-4-chloroanilino]acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100507615
2-[[2-[N-(benzenesulfonyl)-4-chloroanilino]acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 133198514
N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 42841931
N-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)benzenesulfonamide
CID 46152488
N-[4-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfamoyl]phenyl]acetamide
CID 46022588
3-[N-(benzenesulfonyl)-4-chloroanilino]propanoic acid
CID 50890227

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide (CID 42841577) is N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccccc1F)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is VPMHHNGROXTNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO2S/c20-16-10-12-17(13-11-16)22(14-15-6-4-5-9-19(15)21)25(23,24)18-7-2-1-3-8-18/h1-13H,14H2.
What are the key properties of N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 375.85 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 42841577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).