N-benzhydrylidenemethanesulfonamide

C14H13NO2S — CID 13140019

IUPACN-benzhydrylidenemethanesulfonamide
SMILESCS(=O)(=O)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NO2S/c1-18(16,17)15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyRCZVZXGESNLIHA-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.48
Rot. Bonds3

About N-benzhydrylidenemethanesulfonamide

N-benzhydrylidenemethanesulfonamide (PubChem CID 13140019) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-benzhydrylidenemethanesulfonamide.

Molecular Properties

Compound NameN-benzhydrylidenemethanesulfonamide
PubChem CID13140019
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC NameN-benzhydrylidenemethanesulfonamide
SMILESCS(=O)(=O)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NO2S/c1-18(16,17)15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyRCZVZXGESNLIHA-UHFFFAOYSA-N
XLogP2.48
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzhydrylidenemethanesulfonamide?
The IUPAC name of N-benzhydrylidenemethanesulfonamide (CID 13140019) is N-benzhydrylidenemethanesulfonamide.
What is the SMILES notation for N-benzhydrylidenemethanesulfonamide?
The canonical SMILES for N-benzhydrylidenemethanesulfonamide is CS(=O)(=O)N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydrylidenemethanesulfonamide?
The InChIKey is RCZVZXGESNLIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-18(16,17)15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3.
What are the key properties of N-benzhydrylidenemethanesulfonamide?
N-benzhydrylidenemethanesulfonamide has a molecular weight of 259.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydrylidenemethanesulfonamide is sourced from PubChem (CID 13140019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).