N-(3,4-dichlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

C18H18Cl2N2O4S — CID 1100086

IUPACN-(3,4-dichlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESO=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H18Cl2N2O4S/c19-16-7-6-14(12-17(16)20)22(13-18(23)21-8-10-26-11-9-21)27(24,25)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2
InChIKeyZLDVGYMUPSXKGU-UHFFFAOYSA-N
MW429.33 g/mol
LogP3.05
Rot. Bonds5

About N-(3,4-dichlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

N-(3,4-dichlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (PubChem CID 1100086) has the molecular formula C18H18Cl2N2O4S and a molecular weight of 429.33 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
PubChem CID1100086
Molecular FormulaC18H18Cl2N2O4S
Molecular Weight429.33 g/mol
Exact Mass428.04
IUPAC NameN-(3,4-dichlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESO=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H18Cl2N2O4S/c19-16-7-6-14(12-17(16)20)22(13-18(23)21-8-10-26-11-9-21)27(24,25)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2
InChIKeyZLDVGYMUPSXKGU-UHFFFAOYSA-N
XLogP3.05
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 2991987
N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 1239009
N-(3,4-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 51345243
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 51345016
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 126322952
4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 4525809
N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 1120526
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide
CID 1357141
N-(3-chloro-4-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1108098
N-(3-chloro-4-methoxyphenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 28589502
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509500
4-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]amino]benzoic acid
CID 1267410

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (CID 1100086) is N-(3,4-dichlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CCOCC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The InChIKey is ZLDVGYMUPSXKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4S/c19-16-7-6-14(12-17(16)20)22(13-18(23)21-8-10-26-11-9-21)27(24,25)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2.
What are the key properties of N-(3,4-dichlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
N-(3,4-dichlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide has a molecular weight of 429.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 1100086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).