4-amino-2-phenylbenzenesulfonyl fluoride

C12H10FNO2S — CID 142017991

IUPAC4-amino-2-phenylbenzenesulfonyl fluoride
SMILESNc1ccc(S(=O)(=O)F)c(-c2ccccc2)c1
InChIInChI=1S/C12H10FNO2S/c13-17(15,16)12-7-6-10(14)8-11(12)9-4-2-1-3-5-9/h1-8H,14H2
InChIKeyAQAZNFCJKWJXAZ-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.59
Rot. Bonds2

About 4-amino-2-phenylbenzenesulfonyl fluoride

4-amino-2-phenylbenzenesulfonyl fluoride (PubChem CID 142017991) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is 4-amino-2-phenylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name4-amino-2-phenylbenzenesulfonyl fluoride
PubChem CID142017991
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name4-amino-2-phenylbenzenesulfonyl fluoride
SMILESNc1ccc(S(=O)(=O)F)c(-c2ccccc2)c1
InChIInChI=1S/C12H10FNO2S/c13-17(15,16)12-7-6-10(14)8-11(12)9-4-2-1-3-5-9/h1-8H,14H2
InChIKeyAQAZNFCJKWJXAZ-UHFFFAOYSA-N
XLogP2.59
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-phenylbenzenesulfonyl fluoride?
The IUPAC name of 4-amino-2-phenylbenzenesulfonyl fluoride (CID 142017991) is 4-amino-2-phenylbenzenesulfonyl fluoride.
What is the SMILES notation for 4-amino-2-phenylbenzenesulfonyl fluoride?
The canonical SMILES for 4-amino-2-phenylbenzenesulfonyl fluoride is Nc1ccc(S(=O)(=O)F)c(-c2ccccc2)c1.
What is the InChIKey of 4-amino-2-phenylbenzenesulfonyl fluoride?
The InChIKey is AQAZNFCJKWJXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c13-17(15,16)12-7-6-10(14)8-11(12)9-4-2-1-3-5-9/h1-8H,14H2.
What are the key properties of 4-amino-2-phenylbenzenesulfonyl fluoride?
4-amino-2-phenylbenzenesulfonyl fluoride has a molecular weight of 251.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-phenylbenzenesulfonyl fluoride is sourced from PubChem (CID 142017991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).