N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N-methylbenzenesulfonamide

C12H19FN2O2S — CID 62009844

IUPACN-(1-amino-2-methylbutan-2-yl)-4-fluoro-N-methylbenzenesulfonamide
SMILESCCC(C)(CN)N(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H19FN2O2S/c1-4-12(2,9-14)15(3)18(16,17)11-7-5-10(13)6-8-11/h5-8H,4,9,14H2,1-3H3
InChIKeyKVWMFYUIRSHNDZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.57
Rot. Bonds5

About N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N-methylbenzenesulfonamide

N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 62009844) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-4-fluoro-N-methylbenzenesulfonamide
PubChem CID62009844
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-4-fluoro-N-methylbenzenesulfonamide
SMILESCCC(C)(CN)N(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H19FN2O2S/c1-4-12(2,9-14)15(3)18(16,17)11-7-5-10(13)6-8-11/h5-8H,4,9,14H2,1-3H3
InChIKeyKVWMFYUIRSHNDZ-UHFFFAOYSA-N
XLogP1.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N-methylbenzenesulfonamide (CID 62009844) is N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N-methylbenzenesulfonamide is CCC(C)(CN)N(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is KVWMFYUIRSHNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-4-12(2,9-14)15(3)18(16,17)11-7-5-10(13)6-8-11/h5-8H,4,9,14H2,1-3H3.
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N-methylbenzenesulfonamide?
N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 274.36 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 62009844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).