N-(benzenesulfonyl)-2-fluorobenzamide

C13H10FNO3S — CID 2147255

IUPACN-(benzenesulfonyl)-2-fluorobenzamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1ccccc1F
InChIInChI=1S/C13H10FNO3S/c14-12-9-5-4-8-11(12)13(16)15-19(17,18)10-6-2-1-3-7-10/h1-9H,(H,15,16)
InChIKeyABCBGTPDCCYPKV-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.94
Rot. Bonds3

About N-(benzenesulfonyl)-2-fluorobenzamide

N-(benzenesulfonyl)-2-fluorobenzamide (PubChem CID 2147255) has the molecular formula C13H10FNO3S and a molecular weight of 279.29 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-fluorobenzamide
PubChem CID2147255
Molecular FormulaC13H10FNO3S
Molecular Weight279.29 g/mol
Exact Mass279.04
IUPAC NameN-(benzenesulfonyl)-2-fluorobenzamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1ccccc1F
InChIInChI=1S/C13H10FNO3S/c14-12-9-5-4-8-11(12)13(16)15-19(17,18)10-6-2-1-3-7-10/h1-9H,(H,15,16)
InChIKeyABCBGTPDCCYPKV-UHFFFAOYSA-N
XLogP1.94
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-fluorobenzamide?
The IUPAC name of N-(benzenesulfonyl)-2-fluorobenzamide (CID 2147255) is N-(benzenesulfonyl)-2-fluorobenzamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-fluorobenzamide?
The canonical SMILES for N-(benzenesulfonyl)-2-fluorobenzamide is O=C(NS(=O)(=O)c1ccccc1)c1ccccc1F.
What is the InChIKey of N-(benzenesulfonyl)-2-fluorobenzamide?
The InChIKey is ABCBGTPDCCYPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3S/c14-12-9-5-4-8-11(12)13(16)15-19(17,18)10-6-2-1-3-7-10/h1-9H,(H,15,16).
What are the key properties of N-(benzenesulfonyl)-2-fluorobenzamide?
N-(benzenesulfonyl)-2-fluorobenzamide has a molecular weight of 279.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-fluorobenzamide is sourced from PubChem (CID 2147255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).