4-fluoro-N-methylbenzenesulfonamide

C7H8FNO2S — CID 2440054

IUPAC4-fluoro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C7H8FNO2S/c1-9-12(10,11)7-4-2-6(8)3-5-7/h2-5,9H,1H3
InChIKeyRDRBNXNITJCMPV-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.73
Rot. Bonds2

About 4-fluoro-N-methylbenzenesulfonamide

4-fluoro-N-methylbenzenesulfonamide (PubChem CID 2440054) has the molecular formula C7H8FNO2S and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-methylbenzenesulfonamide
PubChem CID2440054
Molecular FormulaC7H8FNO2S
Molecular Weight189.21 g/mol
Exact Mass189.03
IUPAC Name4-fluoro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C7H8FNO2S/c1-9-12(10,11)7-4-2-6(8)3-5-7/h2-5,9H,1H3
InChIKeyRDRBNXNITJCMPV-UHFFFAOYSA-N
XLogP0.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-methylbenzenesulfonamide (CID 2440054) is 4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is RDRBNXNITJCMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2S/c1-9-12(10,11)7-4-2-6(8)3-5-7/h2-5,9H,1H3.
What are the key properties of 4-fluoro-N-methylbenzenesulfonamide?
4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 189.21 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 2440054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).