N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide

C21H24Cl2N2O4S — CID 23877209

IUPACN-[(2,6-dichlorophenyl)methyl]-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCC(=O)N2CCOCC2)Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C21H24Cl2N2O4S/c1-16-5-7-17(8-6-16)30(27,28)25(15-18-19(22)3-2-4-20(18)23)10-9-21(26)24-11-13-29-14-12-24/h2-8H,9-15H2,1H3
InChIKeyRHIGGECDAUQFHV-UHFFFAOYSA-N
MW471.41 g/mol
LogP3.74
Rot. Bonds7

About N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide

N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide (PubChem CID 23877209) has the molecular formula C21H24Cl2N2O4S and a molecular weight of 471.41 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
PubChem CID23877209
Molecular FormulaC21H24Cl2N2O4S
Molecular Weight471.41 g/mol
Exact Mass470.08
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCC(=O)N2CCOCC2)Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C21H24Cl2N2O4S/c1-16-5-7-17(8-6-16)30(27,28)25(15-18-19(22)3-2-4-20(18)23)10-9-21(26)24-11-13-29-14-12-24/h2-8H,9-15H2,1H3
InChIKeyRHIGGECDAUQFHV-UHFFFAOYSA-N
XLogP3.74
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-N-[(2,6-dichlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 1329397
4-methyl-N-[(3-methylphenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 1305731
4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 4525809
2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N,N-diethylacetamide
CID 126011436
4-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 50775815
N-[(2-chloro-6-fluorophenyl)methyl]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 126069586
N-(3-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113141742
N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113141390
2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide
CID 126316549
ethyl 3-[(2,6-dichlorophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]propanoate
CID 5090813
4-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146056610
N-(2-methoxyphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 1163324

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide (CID 23877209) is N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCOCC2)Cc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
The InChIKey is RHIGGECDAUQFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O4S/c1-16-5-7-17(8-6-16)30(27,28)25(15-18-19(22)3-2-4-20(18)23)10-9-21(26)24-11-13-29-14-12-24/h2-8H,9-15H2,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide has a molecular weight of 471.41 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide is sourced from PubChem (CID 23877209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).