N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide

C19H15ClFNO2S — CID 42841931

IUPACN-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
SMILESO=S(=O)(c1cccc(F)c1)N(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H15ClFNO2S/c20-16-11-9-15(10-12-16)14-22(18-6-2-1-3-7-18)25(23,24)19-8-4-5-17(21)13-19/h1-13H,14H2
InChIKeyGRYILQLBKNVIJC-UHFFFAOYSA-N
MW375.85 g/mol
LogP4.87
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide

N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide (PubChem CID 42841931) has the molecular formula C19H15ClFNO2S and a molecular weight of 375.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
PubChem CID42841931
Molecular FormulaC19H15ClFNO2S
Molecular Weight375.85 g/mol
Exact Mass375.05
IUPAC NameN-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
SMILESO=S(=O)(c1cccc(F)c1)N(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H15ClFNO2S/c20-16-11-9-15(10-12-16)14-22(18-6-2-1-3-7-18)25(23,24)19-8-4-5-17(21)13-19/h1-13H,14H2
InChIKeyGRYILQLBKNVIJC-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-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)benzenesulfonamide
CID 46152488
N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 46152490
N-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 46022862
N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide
CID 46023035
N-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 46022849
N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021763
3-fluoro-N-phenyl-N-propylbenzenesulfonamide
CID 142103274
N-benzyl-N-(3-bromophenyl)-4-chlorobenzenesulfonamide
CID 46021781
4-chloro-N-[(3-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46021814
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 42841577
3-fluoro-N,N-diphenylbenzenesulfonamide
CID 23881981
N-(6-amino-3-pyridinyl)-N-[(4-chlorophenyl)methyl]benzenesulfonamide
CID 70828971

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide (CID 42841931) is N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide is O=S(=O)(c1cccc(F)c1)N(Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide?
The InChIKey is GRYILQLBKNVIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO2S/c20-16-11-9-15(10-12-16)14-22(18-6-2-1-3-7-18)25(23,24)19-8-4-5-17(21)13-19/h1-13H,14H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide?
N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide 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)methyl]-3-fluoro-N-phenylbenzenesulfonamide is sourced from PubChem (CID 42841931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).