4-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzenesulfonamide

C20H20N2O5S2 — CID 3508166

IUPAC4-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2ccccc2c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H20N2O5S2/c23-28(24,21-18-6-5-16-3-1-2-4-17(16)15-18)19-7-9-20(10-8-19)29(25,26)22-11-13-27-14-12-22/h1-10,15,21H,11-14H2
InChIKeyLBWHXZPWAHKIFT-UHFFFAOYSA-N
MW432.52 g/mol
LogP2.66
Rot. Bonds5

About 4-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzenesulfonamide

4-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzenesulfonamide (PubChem CID 3508166) has the molecular formula C20H20N2O5S2 and a molecular weight of 432.52 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzenesulfonamide
PubChem CID3508166
Molecular FormulaC20H20N2O5S2
Molecular Weight432.52 g/mol
Exact Mass432.08
IUPAC Name4-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2ccccc2c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H20N2O5S2/c23-28(24,21-18-6-5-16-3-1-2-4-17(16)15-18)19-7-9-20(10-8-19)29(25,26)22-11-13-27-14-12-22/h1-10,15,21H,11-14H2
InChIKeyLBWHXZPWAHKIFT-UHFFFAOYSA-N
XLogP2.66
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 6469836
N-[4-(azepan-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 25358932
1-(4-morpholin-4-ylsulfonylphenyl)-N-(naphthalen-2-ylmethyl)methanamine
CID 27656690
N-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide
CID 1108171
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
N-[2-(2-methylpropylamino)-5-morpholin-4-ylsulfonylphenyl]naphthalene-2-sulfonamide
CID 5194420
1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide
CID 86922484
N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846619
3,4-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 22203318
N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2315784
3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 1349058
N-benzhydryl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 1168367

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzenesulfonamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzenesulfonamide (CID 3508166) is 4-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzenesulfonamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzenesulfonamide is O=S(=O)(Nc1ccc2ccccc2c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzenesulfonamide?
The InChIKey is LBWHXZPWAHKIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S2/c23-28(24,21-18-6-5-16-3-1-2-4-17(16)15-18)19-7-9-20(10-8-19)29(25,26)22-11-13-27-14-12-22/h1-10,15,21H,11-14H2.
What are the key properties of 4-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzenesulfonamide?
4-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzenesulfonamide has a molecular weight of 432.52 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzenesulfonamide is sourced from PubChem (CID 3508166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).