2-[(4-fluoro-3-methylphenyl)sulfonylamino]-3-methylbutanamide

C12H17FN2O3S — CID 142670856

IUPAC2-[(4-fluoro-3-methylphenyl)sulfonylamino]-3-methylbutanamide
SMILESCc1cc(S(=O)(=O)NC(C(N)=O)C(C)C)ccc1F
InChIInChI=1S/C12H17FN2O3S/c1-7(2)11(12(14)16)15-19(17,18)9-4-5-10(13)8(3)6-9/h4-7,11,15H,1-3H3,(H2,14,16)
InChIKeyKCPKZLHEGAPWFE-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.92
Rot. Bonds5

About 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-3-methylbutanamide

2-[(4-fluoro-3-methylphenyl)sulfonylamino]-3-methylbutanamide (PubChem CID 142670856) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(4-fluoro-3-methylphenyl)sulfonylamino]-3-methylbutanamide
PubChem CID142670856
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name2-[(4-fluoro-3-methylphenyl)sulfonylamino]-3-methylbutanamide
SMILESCc1cc(S(=O)(=O)NC(C(N)=O)C(C)C)ccc1F
InChIInChI=1S/C12H17FN2O3S/c1-7(2)11(12(14)16)15-19(17,18)9-4-5-10(13)8(3)6-9/h4-7,11,15H,1-3H3,(H2,14,16)
InChIKeyKCPKZLHEGAPWFE-UHFFFAOYSA-N
XLogP0.92
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-amino-3-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106343811
2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide
CID 106346489
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862
2-[(5-amino-4-fluoro-2-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106343847
(2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 7127688
3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide
CID 78416953
2-[(2-amino-4-chlorophenyl)sulfonylamino]-3-methylbutanamide
CID 106343791
2-[[3-(1-hydroxyethyl)phenyl]sulfonylamino]-3-methylbutanamide
CID 106346914
(2S)-2-[[4-[4-[(4-fluoro-3-methylbenzoyl)amino]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 59483373
(2R)-2-[(3-cyano-4-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 79011250
2-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]-3-methylbutanamide
CID 114176438
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100694924

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-3-methylbutanamide?
The IUPAC name of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-3-methylbutanamide (CID 142670856) is 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-3-methylbutanamide.
What is the SMILES notation for 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-3-methylbutanamide?
The canonical SMILES for 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-3-methylbutanamide is Cc1cc(S(=O)(=O)NC(C(N)=O)C(C)C)ccc1F.
What is the InChIKey of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-3-methylbutanamide?
The InChIKey is KCPKZLHEGAPWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-7(2)11(12(14)16)15-19(17,18)9-4-5-10(13)8(3)6-9/h4-7,11,15H,1-3H3,(H2,14,16).
What are the key properties of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-3-methylbutanamide?
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-3-methylbutanamide has a molecular weight of 288.34 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-3-methylbutanamide is sourced from PubChem (CID 142670856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).