N-(4-fluoro-2-methylphenyl)propane-2-sulfonamide

C10H14FNO2S — CID 62998364

IUPACN-(4-fluoro-2-methylphenyl)propane-2-sulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)C(C)C
InChIInChI=1S/C10H14FNO2S/c1-7(2)15(13,14)12-10-5-4-9(11)6-8(10)3/h4-7,12H,1-3H3
InChIKeyCINLPPVSUSNOMR-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.28
Rot. Bonds3

About N-(4-fluoro-2-methylphenyl)propane-2-sulfonamide

N-(4-fluoro-2-methylphenyl)propane-2-sulfonamide (PubChem CID 62998364) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)propane-2-sulfonamide
PubChem CID62998364
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC NameN-(4-fluoro-2-methylphenyl)propane-2-sulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)C(C)C
InChIInChI=1S/C10H14FNO2S/c1-7(2)15(13,14)12-10-5-4-9(11)6-8(10)3/h4-7,12H,1-3H3
InChIKeyCINLPPVSUSNOMR-UHFFFAOYSA-N
XLogP2.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)propane-2-sulfonamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)propane-2-sulfonamide (CID 62998364) is N-(4-fluoro-2-methylphenyl)propane-2-sulfonamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)propane-2-sulfonamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)propane-2-sulfonamide is Cc1cc(F)ccc1NS(=O)(=O)C(C)C.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)propane-2-sulfonamide?
The InChIKey is CINLPPVSUSNOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c1-7(2)15(13,14)12-10-5-4-9(11)6-8(10)3/h4-7,12H,1-3H3.
What are the key properties of N-(4-fluoro-2-methylphenyl)propane-2-sulfonamide?
N-(4-fluoro-2-methylphenyl)propane-2-sulfonamide has a molecular weight of 231.29 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)propane-2-sulfonamide is sourced from PubChem (CID 62998364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).