N-benzylsulfonyl-2,4-difluorobenzamide

C14H11F2NO3S — CID 51086094

IUPACN-benzylsulfonyl-2,4-difluorobenzamide
SMILESO=C(NS(=O)(=O)Cc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C14H11F2NO3S/c15-11-6-7-12(13(16)8-11)14(18)17-21(19,20)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChIKeyMWDHALIHODJETQ-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.22
Rot. Bonds4

About N-benzylsulfonyl-2,4-difluorobenzamide

N-benzylsulfonyl-2,4-difluorobenzamide (PubChem CID 51086094) has the molecular formula C14H11F2NO3S and a molecular weight of 311.31 g/mol. Its IUPAC name is N-benzylsulfonyl-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-benzylsulfonyl-2,4-difluorobenzamide
PubChem CID51086094
Molecular FormulaC14H11F2NO3S
Molecular Weight311.31 g/mol
Exact Mass311.04
IUPAC NameN-benzylsulfonyl-2,4-difluorobenzamide
SMILESO=C(NS(=O)(=O)Cc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C14H11F2NO3S/c15-11-6-7-12(13(16)8-11)14(18)17-21(19,20)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChIKeyMWDHALIHODJETQ-UHFFFAOYSA-N
XLogP2.22
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzylsulfonyl-2,4-difluorobenzamide?
The IUPAC name of N-benzylsulfonyl-2,4-difluorobenzamide (CID 51086094) is N-benzylsulfonyl-2,4-difluorobenzamide.
What is the SMILES notation for N-benzylsulfonyl-2,4-difluorobenzamide?
The canonical SMILES for N-benzylsulfonyl-2,4-difluorobenzamide is O=C(NS(=O)(=O)Cc1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of N-benzylsulfonyl-2,4-difluorobenzamide?
The InChIKey is MWDHALIHODJETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3S/c15-11-6-7-12(13(16)8-11)14(18)17-21(19,20)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18).
What are the key properties of N-benzylsulfonyl-2,4-difluorobenzamide?
N-benzylsulfonyl-2,4-difluorobenzamide has a molecular weight of 311.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylsulfonyl-2,4-difluorobenzamide is sourced from PubChem (CID 51086094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).