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

C17H17Cl2N3O3S — CID 162669231

IUPACN-[3-amino-4-(4-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide
SMILESN#Cc1ccc(OCC(N)CCNS(=O)(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2N3O3S/c18-13-3-6-17(16(19)9-13)26(23,24)22-8-7-14(21)11-25-15-4-1-12(10-20)2-5-15/h1-6,9,14,22H,7-8,11,21H2
InChIKeyMFKVCZHAJQWVRQ-UHFFFAOYSA-N
MW414.31 g/mol
LogP2.94
Rot. Bonds8

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

N-[3-amino-4-(4-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide (PubChem CID 162669231) has the molecular formula C17H17Cl2N3O3S and a molecular weight of 414.31 g/mol. Its IUPAC name is N-[3-amino-4-(4-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-amino-4-(4-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide
PubChem CID162669231
Molecular FormulaC17H17Cl2N3O3S
Molecular Weight414.31 g/mol
Exact Mass413.04
IUPAC NameN-[3-amino-4-(4-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide
SMILESN#Cc1ccc(OCC(N)CCNS(=O)(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2N3O3S/c18-13-3-6-17(16(19)9-13)26(23,24)22-8-7-14(21)11-25-15-4-1-12(10-20)2-5-15/h1-6,9,14,22H,7-8,11,21H2
InChIKeyMFKVCZHAJQWVRQ-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

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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
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-[(3R)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2,4-dichlorobenzenesulfonamide
CID 162649024
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-[3-amino-4-(4-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide?
The IUPAC name of N-[3-amino-4-(4-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide (CID 162669231) is N-[3-amino-4-(4-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[3-amino-4-(4-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-[3-amino-4-(4-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide is N#Cc1ccc(OCC(N)CCNS(=O)(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[3-amino-4-(4-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide?
The InChIKey is MFKVCZHAJQWVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3S/c18-13-3-6-17(16(19)9-13)26(23,24)22-8-7-14(21)11-25-15-4-1-12(10-20)2-5-15/h1-6,9,14,22H,7-8,11,21H2.
What are the key properties of N-[3-amino-4-(4-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide?
N-[3-amino-4-(4-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-(4-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 162669231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).