4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C25H26Cl2N2O4S — CID 42700349

IUPAC4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(CCN1CCOCC1)Cc1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C25H26Cl2N2O4S/c26-21-4-8-23(9-5-21)33-24-3-1-2-20(18-24)19-29(13-12-28-14-16-32-17-15-28)34(30,31)25-10-6-22(27)7-11-25/h1-11,18H,12-17,19H2
InChIKeyALISGAAHIGXFJB-UHFFFAOYSA-N
MW521.47 g/mol
LogP5.31
Rot. Bonds9

About 4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide

4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 42700349) has the molecular formula C25H26Cl2N2O4S and a molecular weight of 521.47 g/mol. Its IUPAC name is 4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID42700349
Molecular FormulaC25H26Cl2N2O4S
Molecular Weight521.47 g/mol
Exact Mass520.10
IUPAC Name4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(CCN1CCOCC1)Cc1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C25H26Cl2N2O4S/c26-21-4-8-23(9-5-21)33-24-3-1-2-20(18-24)19-29(13-12-28-14-16-32-17-15-28)34(30,31)25-10-6-22(27)7-11-25/h1-11,18H,12-17,19H2
InChIKeyALISGAAHIGXFJB-UHFFFAOYSA-N
XLogP5.31
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.47
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)-4-nitrobenzenesulfonamide
CID 42700351
4-chloro-N-(2-morpholin-4-ylethyl)-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide
CID 42698256
4-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 3619541
2,5-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 42657272
N-benzyl-N-(3-morpholin-4-ylpropyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide
CID 59826019
N-[4-(4-chlorophenoxy)phenyl]-1-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxopyridine-3-sulfonamide
CID 24852488
N-(2-morpholin-4-ylethyl)-N-[(3-phenoxyphenyl)methyl]pentanamide
CID 42697864
4-[2-[4-[4-(2-morpholin-4-ylethylsulfonyl)phenoxy]phenyl]sulfonylethyl]morpholine
CID 1099236
3-(2,3-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42701220
N-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide
CID 42701309
N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide
CID 2908203
5-chloro-2-methoxy-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 45191121

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 42700349) is 4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide is O=S(=O)(c1ccc(Cl)cc1)N(CCN1CCOCC1)Cc1cccc(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is ALISGAAHIGXFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N2O4S/c26-21-4-8-23(9-5-21)33-24-3-1-2-20(18-24)19-29(13-12-28-14-16-32-17-15-28)34(30,31)25-10-6-22(27)7-11-25/h1-11,18H,12-17,19H2.
What are the key properties of 4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 521.47 g/mol, XLogP of 5.31, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 42700349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).