N-[1-(4-butylphenyl)-2-(2-fluorophenyl)ethyl]-4-chlorobenzenesulfonamide

C24H25ClFNO2S — CID 57071853

IUPACN-[1-(4-butylphenyl)-2-(2-fluorophenyl)ethyl]-4-chlorobenzenesulfonamide
SMILESCCCCc1ccc(C(Cc2ccccc2F)NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H25ClFNO2S/c1-2-3-6-18-9-11-19(12-10-18)24(17-20-7-4-5-8-23(20)26)27-30(28,29)22-15-13-21(25)14-16-22/h4-5,7-16,24,27H,2-3,6,17H2,1H3
InChIKeyVQHTWKFRUWZEIQ-UHFFFAOYSA-N
MW445.99 g/mol
LogP6.08
Rot. Bonds9

About N-[1-(4-butylphenyl)-2-(2-fluorophenyl)ethyl]-4-chlorobenzenesulfonamide

N-[1-(4-butylphenyl)-2-(2-fluorophenyl)ethyl]-4-chlorobenzenesulfonamide (PubChem CID 57071853) has the molecular formula C24H25ClFNO2S and a molecular weight of 445.99 g/mol. Its IUPAC name is N-[1-(4-butylphenyl)-2-(2-fluorophenyl)ethyl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-butylphenyl)-2-(2-fluorophenyl)ethyl]-4-chlorobenzenesulfonamide
PubChem CID57071853
Molecular FormulaC24H25ClFNO2S
Molecular Weight445.99 g/mol
Exact Mass445.13
IUPAC NameN-[1-(4-butylphenyl)-2-(2-fluorophenyl)ethyl]-4-chlorobenzenesulfonamide
SMILESCCCCc1ccc(C(Cc2ccccc2F)NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H25ClFNO2S/c1-2-3-6-18-9-11-19(12-10-18)24(17-20-7-4-5-8-23(20)26)27-30(28,29)22-15-13-21(25)14-16-22/h4-5,7-16,24,27H,2-3,6,17H2,1H3
InChIKeyVQHTWKFRUWZEIQ-UHFFFAOYSA-N
XLogP6.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.99
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoate
CID 23353743
N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 102575603
4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083
4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide
CID 66978869
1-[2-bromo-2-(4-butylphenyl)ethyl]-2-fluorobenzene
CID 63440261
methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-3-(4-fluorophenyl)propyl]phenyl]butanoate
CID 23353815
ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]hexyl]phenyl]butanoate
CID 23353907
4-[4-[1-[(4-chlorophenyl)sulfonylamino]-6-phenylhexyl]phenyl]butanoic acid
CID 23353783
N-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide
CID 60709307
methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-6-fluorohexyl]phenyl]butanoate
CID 67579791
4-butyl-N-(2-butylphenyl)benzenesulfonamide
CID 22774370
1-(4-butylphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43484353

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butylphenyl)-2-(2-fluorophenyl)ethyl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[1-(4-butylphenyl)-2-(2-fluorophenyl)ethyl]-4-chlorobenzenesulfonamide (CID 57071853) is N-[1-(4-butylphenyl)-2-(2-fluorophenyl)ethyl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[1-(4-butylphenyl)-2-(2-fluorophenyl)ethyl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[1-(4-butylphenyl)-2-(2-fluorophenyl)ethyl]-4-chlorobenzenesulfonamide is CCCCc1ccc(C(Cc2ccccc2F)NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[1-(4-butylphenyl)-2-(2-fluorophenyl)ethyl]-4-chlorobenzenesulfonamide?
The InChIKey is VQHTWKFRUWZEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFNO2S/c1-2-3-6-18-9-11-19(12-10-18)24(17-20-7-4-5-8-23(20)26)27-30(28,29)22-15-13-21(25)14-16-22/h4-5,7-16,24,27H,2-3,6,17H2,1H3.
What are the key properties of N-[1-(4-butylphenyl)-2-(2-fluorophenyl)ethyl]-4-chlorobenzenesulfonamide?
N-[1-(4-butylphenyl)-2-(2-fluorophenyl)ethyl]-4-chlorobenzenesulfonamide has a molecular weight of 445.99 g/mol, XLogP of 6.08, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butylphenyl)-2-(2-fluorophenyl)ethyl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 57071853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).