N-[3-amino-4-(3-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide

C17H17Cl2N3O3S — CID 162646466

IUPACN-[3-amino-4-(3-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide
SMILESN#Cc1cccc(OCC(N)CCNS(=O)(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H17Cl2N3O3S/c18-13-4-5-17(16(19)9-13)26(23,24)22-7-6-14(21)11-25-15-3-1-2-12(8-15)10-20/h1-5,8-9,14,22H,6-7,11,21H2
InChIKeyBTEYBGJXNVHHDS-UHFFFAOYSA-N
MW414.31 g/mol
LogP2.94
Rot. Bonds8

About N-[3-amino-4-(3-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide

N-[3-amino-4-(3-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide (PubChem CID 162646466) has the molecular formula C17H17Cl2N3O3S and a molecular weight of 414.31 g/mol. Its IUPAC name is N-[3-amino-4-(3-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-amino-4-(3-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide
PubChem CID162646466
Molecular FormulaC17H17Cl2N3O3S
Molecular Weight414.31 g/mol
Exact Mass413.04
IUPAC NameN-[3-amino-4-(3-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide
SMILESN#Cc1cccc(OCC(N)CCNS(=O)(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H17Cl2N3O3S/c18-13-4-5-17(16(19)9-13)26(23,24)22-7-6-14(21)11-25-15-3-1-2-12(8-15)10-20/h1-5,8-9,14,22H,6-7,11,21H2
InChIKeyBTEYBGJXNVHHDS-UHFFFAOYSA-N
XLogP2.94
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-amino-4-(3-cyanophenoxy)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

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-(3-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide?
The IUPAC name of N-[3-amino-4-(3-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide (CID 162646466) is N-[3-amino-4-(3-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[3-amino-4-(3-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-[3-amino-4-(3-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide is N#Cc1cccc(OCC(N)CCNS(=O)(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[3-amino-4-(3-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide?
The InChIKey is BTEYBGJXNVHHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3S/c18-13-4-5-17(16(19)9-13)26(23,24)22-7-6-14(21)11-25-15-3-1-2-12(8-15)10-20/h1-5,8-9,14,22H,6-7,11,21H2.
What are the key properties of N-[3-amino-4-(3-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide?
N-[3-amino-4-(3-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide has a molecular weight of 414.31 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-(3-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 162646466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).