benzhydrylsulfinylmethanesulfonamide

C14H15NO3S2 — CID 11960122

IUPACbenzhydrylsulfinylmethanesulfonamide
SMILESNS(=O)(=O)CS(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H15NO3S2/c15-20(17,18)11-19(16)14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H2,15,17,18)
InChIKeyCPBKRCIHZRLDQK-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.77
Rot. Bonds5

About benzhydrylsulfinylmethanesulfonamide

benzhydrylsulfinylmethanesulfonamide (PubChem CID 11960122) has the molecular formula C14H15NO3S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is benzhydrylsulfinylmethanesulfonamide.

Molecular Properties

Compound Namebenzhydrylsulfinylmethanesulfonamide
PubChem CID11960122
Molecular FormulaC14H15NO3S2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC Namebenzhydrylsulfinylmethanesulfonamide
SMILESNS(=O)(=O)CS(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H15NO3S2/c15-20(17,18)11-19(16)14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H2,15,17,18)
InChIKeyCPBKRCIHZRLDQK-UHFFFAOYSA-N
XLogP1.77
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzhydrylsulfinylmethylsulfonyl)-4-methylbenzene
CID 14815329
2-benzhydrylsulfinylethanamine
CID 13267785
2,2-diphenylethanesulfonamide
CID 68954742
2-benzhydrylsulfinylethanimidamide
CID 151481044
diphenylmethanesulfinyl chloride
CID 140576973
[(S)-benzhydrylsulfinyl]formamide
CID 93077367
[[(R)-methylsulfinyl]-phenylmethyl]benzene
CID 124577636
[[(R)-2-methoxyethylsulfinyl]-phenylmethyl]benzene
CID 129383250
1-[(4-fluorophenyl)-phenylmethyl]sulfinylpropan-2-one
CID 67474857
3-benzhydrylsulfinyl-N'-hydroxypropanimidamide;hydrochloride
CID 22758898
1-(2-benzhydrylsulfinylethyl)piperidine
CID 19020215
2-[(3-bromophenyl)-phenylmethyl]sulfinyl-N-ethylacetamide
CID 118654889

Frequently Asked Questions

What is the IUPAC name of benzhydrylsulfinylmethanesulfonamide?
The IUPAC name of benzhydrylsulfinylmethanesulfonamide (CID 11960122) is benzhydrylsulfinylmethanesulfonamide.
What is the SMILES notation for benzhydrylsulfinylmethanesulfonamide?
The canonical SMILES for benzhydrylsulfinylmethanesulfonamide is NS(=O)(=O)CS(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydrylsulfinylmethanesulfonamide?
The InChIKey is CPBKRCIHZRLDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S2/c15-20(17,18)11-19(16)14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H2,15,17,18).
What are the key properties of benzhydrylsulfinylmethanesulfonamide?
benzhydrylsulfinylmethanesulfonamide has a molecular weight of 309.41 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydrylsulfinylmethanesulfonamide is sourced from PubChem (CID 11960122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).