1-(3,4-dichlorophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]methanesulfonamide

C18H18Cl2N2O4S — CID 134052293

IUPAC1-(3,4-dichlorophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]methanesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C18H18Cl2N2O4S/c19-15-6-5-13(11-16(15)20)12-27(24,25)21-17-4-2-1-3-14(17)18(23)22-7-9-26-10-8-22/h1-6,11,21H,7-10,12H2
InChIKeyWFPVWYDMMBOYSV-UHFFFAOYSA-N
MW429.33 g/mol
LogP3.41
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]methanesulfonamide

1-(3,4-dichlorophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]methanesulfonamide (PubChem CID 134052293) has the molecular formula C18H18Cl2N2O4S and a molecular weight of 429.33 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]methanesulfonamide
PubChem CID134052293
Molecular FormulaC18H18Cl2N2O4S
Molecular Weight429.33 g/mol
Exact Mass428.04
IUPAC Name1-(3,4-dichlorophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]methanesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C18H18Cl2N2O4S/c19-15-6-5-13(11-16(15)20)12-27(24,25)21-17-4-2-1-3-14(17)18(23)22-7-9-26-10-8-22/h1-6,11,21H,7-10,12H2
InChIKeyWFPVWYDMMBOYSV-UHFFFAOYSA-N
XLogP3.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
CID 124561397
1-(2-chlorophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]methanesulfonamide
CID 992785
2,5-dichloro-3,6-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663268
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 126319506
4-chloro-2-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663261
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 126322952
1-(3-nitrophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]methanesulfonamide
CID 92680035
2,4-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 31813143
2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663235
2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 28590695
2-chloro-4-methyl-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 56920455
2-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide
CID 4676090

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]methanesulfonamide (CID 134052293) is 1-(3,4-dichlorophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]methanesulfonamide is O=C(c1ccccc1NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)N1CCOCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]methanesulfonamide?
The InChIKey is WFPVWYDMMBOYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4S/c19-15-6-5-13(11-16(15)20)12-27(24,25)21-17-4-2-1-3-14(17)18(23)22-7-9-26-10-8-22/h1-6,11,21H,7-10,12H2.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]methanesulfonamide?
1-(3,4-dichlorophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]methanesulfonamide has a molecular weight of 429.33 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 134052293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).