N-[(3R)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2,4-dichlorobenzenesulfonamide

C17H16Cl2FN3O3S — CID 162649024

IUPACN-[(3R)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2,4-dichlorobenzenesulfonamide
SMILESN#Cc1ccc(OC[C@H](N)CCNS(=O)(=O)c2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C17H16Cl2FN3O3S/c18-12-2-4-17(15(19)7-12)27(24,25)23-6-5-13(22)10-26-14-3-1-11(9-21)16(20)8-14/h1-4,7-8,13,23H,5-6,10,22H2/t13-/m1/s1
InChIKeyZOWCHVWMBDVTOS-CYBMUJFWSA-N
MW432.30 g/mol
LogP3.08
Rot. Bonds8

About N-[(3R)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2,4-dichlorobenzenesulfonamide

N-[(3R)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2,4-dichlorobenzenesulfonamide (PubChem CID 162649024) has the molecular formula C17H16Cl2FN3O3S and a molecular weight of 432.30 g/mol. Its IUPAC name is N-[(3R)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2,4-dichlorobenzenesulfonamide
PubChem CID162649024
Molecular FormulaC17H16Cl2FN3O3S
Molecular Weight432.30 g/mol
Exact Mass431.03
IUPAC NameN-[(3R)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2,4-dichlorobenzenesulfonamide
SMILESN#Cc1ccc(OC[C@H](N)CCNS(=O)(=O)c2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C17H16Cl2FN3O3S/c18-12-2-4-17(15(19)7-12)27(24,25)23-6-5-13(22)10-26-14-3-1-11(9-21)16(20)8-14/h1-4,7-8,13,23H,5-6,10,22H2/t13-/m1/s1
InChIKeyZOWCHVWMBDVTOS-CYBMUJFWSA-N
XLogP3.08
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.30
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3R)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2,4-dichlorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 7808701
4-[1-(2,4-Dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-2-fluorobenzonitrile
CID 145972905
4-[(3S,4S)-4-(aminomethyl)-1-(2,4-dichlorophenyl)sulfonyl-4-hydroxypyrrolidin-3-yl]oxy-2-fluorobenzonitrile
CID 155540455
N-[(3S)-3-amino-4-(2-chloro-5-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide
CID 162644083
2,4-dichloro-N-[4-(4-cyano-3-fluorophenoxy)-3-hydroxybutyl]benzenesulfonamide
CID 162645468
N-[(3S)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2-methylbenzenesulfonamide
CID 162645766
N-[3-amino-4-(3-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide
CID 162646466
N-[3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2,4-dichlorobenzenesulfonamide
CID 162652229
N-[(3S)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2,4-dichlorobenzenesulfonamide
CID 162653553
N-[(3S)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide
CID 162654253
N-[(3S)-3-amino-4-(5-cyano-2-methylphenoxy)butyl]-2,4-dichlorobenzenesulfonamide
CID 162654325
N-[(3S)-3-amino-4-(5-cyano-2-fluorophenoxy)butyl]-2,4-dichlorobenzenesulfonamide
CID 162659828

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2,4-dichlorobenzenesulfonamide?
The IUPAC name of N-[(3R)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2,4-dichlorobenzenesulfonamide (CID 162649024) is N-[(3R)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[(3R)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-[(3R)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2,4-dichlorobenzenesulfonamide is N#Cc1ccc(OC[C@H](N)CCNS(=O)(=O)c2ccc(Cl)cc2Cl)cc1F.
What is the InChIKey of N-[(3R)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2,4-dichlorobenzenesulfonamide?
The InChIKey is ZOWCHVWMBDVTOS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H16Cl2FN3O3S/c18-12-2-4-17(15(19)7-12)27(24,25)23-6-5-13(22)10-26-14-3-1-11(9-21)16(20)8-14/h1-4,7-8,13,23H,5-6,10,22H2/t13-/m1/s1.
What are the key properties of N-[(3R)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2,4-dichlorobenzenesulfonamide?
N-[(3R)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2,4-dichlorobenzenesulfonamide has a molecular weight of 432.30 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 162649024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).