bis(4-(2-benzylphenyl)sulfonylmorpholine);sulfane

C34H40N2O6S3 — CID 68565404

IUPACbis(4-(2-benzylphenyl)sulfonylmorpholine);sulfane
SMILESO=S(=O)(c1ccccc1Cc1ccccc1)N1CCOCC1.O=S(=O)(c1ccccc1Cc1ccccc1)N1CCOCC1.S
InChIInChI=1S/2C17H19NO3S.H2S/c2*19-22(20,18-10-12-21-13-11-18)17-9-5-4-8-16(17)14-15-6-2-1-3-7-15;/h2*1-9H,10-14H2;1H2
InChIKeySOYYXEYVCRDMLT-UHFFFAOYSA-N
MW668.90 g/mol
LogP4.71
Rot. Bonds8

About bis(4-(2-benzylphenyl)sulfonylmorpholine);sulfane

bis(4-(2-benzylphenyl)sulfonylmorpholine);sulfane (PubChem CID 68565404) has the molecular formula C34H40N2O6S3 and a molecular weight of 668.90 g/mol. Its IUPAC name is bis(4-(2-benzylphenyl)sulfonylmorpholine);sulfane.

Molecular Properties

Compound Namebis(4-(2-benzylphenyl)sulfonylmorpholine);sulfane
PubChem CID68565404
Molecular FormulaC34H40N2O6S3
Molecular Weight668.90 g/mol
Exact Mass668.20
IUPAC Namebis(4-(2-benzylphenyl)sulfonylmorpholine);sulfane
SMILESO=S(=O)(c1ccccc1Cc1ccccc1)N1CCOCC1.O=S(=O)(c1ccccc1Cc1ccccc1)N1CCOCC1.S
InChIInChI=1S/2C17H19NO3S.H2S/c2*19-22(20,18-10-12-21-13-11-18)17-9-5-4-8-16(17)14-15-6-2-1-3-7-15;/h2*1-9H,10-14H2;1H2
InChIKeySOYYXEYVCRDMLT-UHFFFAOYSA-N
XLogP4.71
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500668.90
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
CID 60721221
2-morpholin-4-ylsulfonylphenol
CID 79020270
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
1-(5-benzyl-1,3-thiazol-2-yl)-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 154857902
2-morpholin-4-ylsulfonylbenzenesulfonamide
CID 43342653
N-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 5161786
2-(2-benzylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 42070359
2-[3-cyano-2,5-dimethyl-4-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrrol-1-yl]acetic acid
CID 67239161
4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 8902409
ethyl 2-[2-methyl-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-phenylpyrrol-1-yl]acetate
CID 58310940
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
4-[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]phenyl]sulfonylmorpholine
CID 97254906

Frequently Asked Questions

What is the IUPAC name of bis(4-(2-benzylphenyl)sulfonylmorpholine);sulfane?
The IUPAC name of bis(4-(2-benzylphenyl)sulfonylmorpholine);sulfane (CID 68565404) is bis(4-(2-benzylphenyl)sulfonylmorpholine);sulfane.
What is the SMILES notation for bis(4-(2-benzylphenyl)sulfonylmorpholine);sulfane?
The canonical SMILES for bis(4-(2-benzylphenyl)sulfonylmorpholine);sulfane is O=S(=O)(c1ccccc1Cc1ccccc1)N1CCOCC1.O=S(=O)(c1ccccc1Cc1ccccc1)N1CCOCC1.S.
What is the InChIKey of bis(4-(2-benzylphenyl)sulfonylmorpholine);sulfane?
The InChIKey is SOYYXEYVCRDMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H19NO3S.H2S/c2*19-22(20,18-10-12-21-13-11-18)17-9-5-4-8-16(17)14-15-6-2-1-3-7-15;/h2*1-9H,10-14H2;1H2.
What are the key properties of bis(4-(2-benzylphenyl)sulfonylmorpholine);sulfane?
bis(4-(2-benzylphenyl)sulfonylmorpholine);sulfane has a molecular weight of 668.90 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(2-benzylphenyl)sulfonylmorpholine);sulfane is sourced from PubChem (CID 68565404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).