N-[bis(3-fluorophenyl)methylideneamino]methanesulfonamide

C14H12F2N2O2S — CID 132577343

IUPACN-[bis(3-fluorophenyl)methylideneamino]methanesulfonamide
SMILESCS(=O)(=O)NN=C(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C14H12F2N2O2S/c1-21(19,20)18-17-14(10-4-2-6-12(15)8-10)11-5-3-7-13(16)9-11/h2-9,18H,1H3
InChIKeyNSVUYQIXQXVCKD-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.27
Rot. Bonds4

About N-[bis(3-fluorophenyl)methylideneamino]methanesulfonamide

N-[bis(3-fluorophenyl)methylideneamino]methanesulfonamide (PubChem CID 132577343) has the molecular formula C14H12F2N2O2S and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[bis(3-fluorophenyl)methylideneamino]methanesulfonamide.

Molecular Properties

Compound NameN-[bis(3-fluorophenyl)methylideneamino]methanesulfonamide
PubChem CID132577343
Molecular FormulaC14H12F2N2O2S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC NameN-[bis(3-fluorophenyl)methylideneamino]methanesulfonamide
SMILESCS(=O)(=O)NN=C(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C14H12F2N2O2S/c1-21(19,20)18-17-14(10-4-2-6-12(15)8-10)11-5-3-7-13(16)9-11/h2-9,18H,1H3
InChIKeyNSVUYQIXQXVCKD-UHFFFAOYSA-N
XLogP2.27
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-phenylheptylidene)methanesulfonohydrazide
CID 5333778
N'-(1-phenylethylidene)methanesulfonohydrazide
CID 5339778
N'-[1-(4-methylphenyl)ethylidene]methanesulfonohydrazide
CID 5333863
N'-(1-phenylpropylidene)methanesulfonohydrazide
CID 5333653
N'-(1-phenylethylidene)benzenesulfonohydrazide
CID 9569840
N-(benzhydrylideneamino)butane-1-sulfonamide
CID 135079545
4-methyl-N'-[(1E)-2,2,2-trifluoro-1-phenylethylidene]benzenesulfonohydrazide
CID 5419735
N-[bis(4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 101441211
N'-(1-(4-fluorophenyl)ethylidene)benzenesulfonohydrazide
CID 4226997
8-Fluoro-5-(4-fluoro-phenyl)-3-methyl-1,3-dihydro-2,3,4-benzothiadiazepin-2,2-dioxide
CID 51042068
8-Fluoro-5-(4-fluoro-phenyl)-1,3-dihydro-2,3,4-benzothiadiazepin-2,2-dioxide
CID 68380905
N-(diphenylmethylene)methanesulfonamide
CID 13140019

Frequently Asked Questions

What is the IUPAC name of N-[bis(3-fluorophenyl)methylideneamino]methanesulfonamide?
The IUPAC name of N-[bis(3-fluorophenyl)methylideneamino]methanesulfonamide (CID 132577343) is N-[bis(3-fluorophenyl)methylideneamino]methanesulfonamide.
What is the SMILES notation for N-[bis(3-fluorophenyl)methylideneamino]methanesulfonamide?
The canonical SMILES for N-[bis(3-fluorophenyl)methylideneamino]methanesulfonamide is CS(=O)(=O)NN=C(c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of N-[bis(3-fluorophenyl)methylideneamino]methanesulfonamide?
The InChIKey is NSVUYQIXQXVCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2S/c1-21(19,20)18-17-14(10-4-2-6-12(15)8-10)11-5-3-7-13(16)9-11/h2-9,18H,1H3.
What are the key properties of N-[bis(3-fluorophenyl)methylideneamino]methanesulfonamide?
N-[bis(3-fluorophenyl)methylideneamino]methanesulfonamide has a molecular weight of 310.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(3-fluorophenyl)methylideneamino]methanesulfonamide is sourced from PubChem (CID 132577343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).