N-[4-[2-[(4-chlorophenyl)methyl-[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide

C25H30ClN3O5S2 — CID 10973667

IUPACN-[4-[2-[(4-chlorophenyl)methyl-[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CCN(CCOc2ccc(NS(C)(=O)=O)cc2)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H30ClN3O5S2/c1-35(30,31)27-23-9-5-20(6-10-23)15-16-29(19-21-3-7-22(26)8-4-21)17-18-34-25-13-11-24(12-14-25)28-36(2,32)33/h3-14,27-28H,15-19H2,1-2H3
InChIKeyZQWNSZLRRSGXAI-UHFFFAOYSA-N
MW552.12 g/mol
LogP4.21
Rot. Bonds13

About N-[4-[2-[(4-chlorophenyl)methyl-[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide

N-[4-[2-[(4-chlorophenyl)methyl-[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide (PubChem CID 10973667) has the molecular formula C25H30ClN3O5S2 and a molecular weight of 552.12 g/mol. Its IUPAC name is N-[4-[2-[(4-chlorophenyl)methyl-[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[(4-chlorophenyl)methyl-[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide
PubChem CID10973667
Molecular FormulaC25H30ClN3O5S2
Molecular Weight552.12 g/mol
Exact Mass551.13
IUPAC NameN-[4-[2-[(4-chlorophenyl)methyl-[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CCN(CCOc2ccc(NS(C)(=O)=O)cc2)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H30ClN3O5S2/c1-35(30,31)27-23-9-5-20(6-10-23)15-16-29(19-21-3-7-22(26)8-4-21)17-18-34-25-13-11-24(12-14-25)28-36(2,32)33/h3-14,27-28H,15-19H2,1-2H3
InChIKeyZQWNSZLRRSGXAI-UHFFFAOYSA-N
XLogP4.21
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.12
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[(4-chlorophenyl)methyl-[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide 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

Dofetilide
CID 71329
Methanesulfonamide, N-(4-(2-((2-(4-((methylsulfonyl)amino)phenoxy)ethyl)amino)ethyl)phenyl)-
CID 10455225
(S)-1-(4-Methanesulfonamidophenoxy)-3-(N-butyl-3,4-dichlorophenylethylamino)-2-propanol
CID 9870145
(S)-1-(4-Methanesulfonamidophenoxy)-3-(N-ethyl-3,4-dichlorophenylethylamino)-2-propanol
CID 25107697
N-{4-[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl](2-methylpropyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
CID 25107759
(S)-1-(4-Methanesulfonamidophenoxy)3-(N-propyl-3,4-dichlorophenylethylamino)-2-propanol
CID 25108017
1-(4-methanesulfonamidophenoxy)-3-(N-methyl-3,4-dichlorophenylethylamino)-2-propanol
CID 2129
N-{4-[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl](propan-2-yl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
CID 25107760
N-[4-[2-[benzyl-[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide
CID 10006804
(S)-1-(4-Methanesulfonamidophenoxy)-3-(N-(2-hydroxyethyl)-3,4-dichlorophenylethylamino)-2-propanol
CID 25107698
(S)-1-(4-Methanesulfonamidophenoxy)-3-(N-(2-hydroxybenzyl)-3,4-dichlorophenylethylamino)-2-propanol
CID 25107761
(S)-1-(4-Methanesulfonamidophenoxy)-3-(N-(3-fluorobenzyl)-3,4-dichlorophenylethylamino)-2-propanol
CID 25107831

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4-chlorophenyl)methyl-[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[(4-chlorophenyl)methyl-[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide (CID 10973667) is N-[4-[2-[(4-chlorophenyl)methyl-[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[(4-chlorophenyl)methyl-[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[(4-chlorophenyl)methyl-[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(CCN(CCOc2ccc(NS(C)(=O)=O)cc2)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[2-[(4-chlorophenyl)methyl-[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide?
The InChIKey is ZQWNSZLRRSGXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O5S2/c1-35(30,31)27-23-9-5-20(6-10-23)15-16-29(19-21-3-7-22(26)8-4-21)17-18-34-25-13-11-24(12-14-25)28-36(2,32)33/h3-14,27-28H,15-19H2,1-2H3.
What are the key properties of N-[4-[2-[(4-chlorophenyl)methyl-[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide?
N-[4-[2-[(4-chlorophenyl)methyl-[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide has a molecular weight of 552.12 g/mol, XLogP of 4.21, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4-chlorophenyl)methyl-[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 10973667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).