4-chloro-N-[[2-(5-fluoropentoxy)phenyl]methyl]-N-phenylbenzenesulfonamide

C24H25ClFNO3S — CID 141028084

IUPAC4-chloro-N-[[2-(5-fluoropentoxy)phenyl]methyl]-N-phenylbenzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1OCCCCCF)c1ccccc1
InChIInChI=1S/C24H25ClFNO3S/c25-21-13-15-23(16-14-21)31(28,29)27(22-10-3-1-4-11-22)19-20-9-5-6-12-24(20)30-18-8-2-7-17-26/h1,3-6,9-16H,2,7-8,17-19H2
InChIKeyGXMAPFYUQISPCU-UHFFFAOYSA-N
MW461.99 g/mol
LogP6.25
Rot. Bonds11

About 4-chloro-N-[[2-(5-fluoropentoxy)phenyl]methyl]-N-phenylbenzenesulfonamide

4-chloro-N-[[2-(5-fluoropentoxy)phenyl]methyl]-N-phenylbenzenesulfonamide (PubChem CID 141028084) has the molecular formula C24H25ClFNO3S and a molecular weight of 461.99 g/mol. Its IUPAC name is 4-chloro-N-[[2-(5-fluoropentoxy)phenyl]methyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[2-(5-fluoropentoxy)phenyl]methyl]-N-phenylbenzenesulfonamide
PubChem CID141028084
Molecular FormulaC24H25ClFNO3S
Molecular Weight461.99 g/mol
Exact Mass461.12
IUPAC Name4-chloro-N-[[2-(5-fluoropentoxy)phenyl]methyl]-N-phenylbenzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1OCCCCCF)c1ccccc1
InChIInChI=1S/C24H25ClFNO3S/c25-21-13-15-23(16-14-21)31(28,29)27(22-10-3-1-4-11-22)19-20-9-5-6-12-24(20)30-18-8-2-7-17-26/h1,3-6,9-16H,2,7-8,17-19H2
InChIKeyGXMAPFYUQISPCU-UHFFFAOYSA-N
XLogP6.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.99
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[[2-[3-(4-oxopiperidin-1-yl)propoxy]phenyl]methyl]-N-phenylbenzenesulfonamide
CID 22275371
4-chloro-N-[[2-[3-(cyclohexylamino)propoxy]phenyl]methyl]-N-phenylbenzenesulfonamide
CID 23401883
4-[3-[2-[(N-(4-chlorophenyl)sulfonylanilino)methyl]phenoxy]propyl]piperazine-1-carboxylic acid
CID 70123511
4-chloro-N-phenyl-N-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]benzenesulfonamide
CID 22275720
N-[[2-[3-(benzenesulfonyl)propoxy]phenyl]methyl]-4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 22275678
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 42841577
N-[(2-fluorophenyl)methyl]-N-phenylbenzenesulfonamide
CID 967232
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 42841700
4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46152500
N-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-2-nitro-N-phenylbenzenesulfonamide
CID 22276360
N-[(5-chloro-2-hydroxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 54532776
N-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 46152460

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[2-(5-fluoropentoxy)phenyl]methyl]-N-phenylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[[2-(5-fluoropentoxy)phenyl]methyl]-N-phenylbenzenesulfonamide (CID 141028084) is 4-chloro-N-[[2-(5-fluoropentoxy)phenyl]methyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[2-(5-fluoropentoxy)phenyl]methyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[2-(5-fluoropentoxy)phenyl]methyl]-N-phenylbenzenesulfonamide is O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1OCCCCCF)c1ccccc1.
What is the InChIKey of 4-chloro-N-[[2-(5-fluoropentoxy)phenyl]methyl]-N-phenylbenzenesulfonamide?
The InChIKey is GXMAPFYUQISPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFNO3S/c25-21-13-15-23(16-14-21)31(28,29)27(22-10-3-1-4-11-22)19-20-9-5-6-12-24(20)30-18-8-2-7-17-26/h1,3-6,9-16H,2,7-8,17-19H2.
What are the key properties of 4-chloro-N-[[2-(5-fluoropentoxy)phenyl]methyl]-N-phenylbenzenesulfonamide?
4-chloro-N-[[2-(5-fluoropentoxy)phenyl]methyl]-N-phenylbenzenesulfonamide has a molecular weight of 461.99 g/mol, XLogP of 6.25, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[2-(5-fluoropentoxy)phenyl]methyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 141028084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).