3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylpropanamide

C14H21FN2O3S — CID 107327415

IUPAC3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylpropanamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCCC(=O)NC(C)C
InChIInChI=1S/C14H21FN2O3S/c1-9(2)17-13(18)5-6-16-21(19,20)14-10(3)7-12(15)8-11(14)4/h7-9,16H,5-6H2,1-4H3,(H,17,18)
InChIKeyOTHHLDBAVTYXFC-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.64
Rot. Bonds6

About 3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylpropanamide

3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylpropanamide (PubChem CID 107327415) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylpropanamide
PubChem CID107327415
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylpropanamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCCC(=O)NC(C)C
InChIInChI=1S/C14H21FN2O3S/c1-9(2)17-13(18)5-6-16-21(19,20)14-10(3)7-12(15)8-11(14)4/h7-9,16H,5-6H2,1-4H3,(H,17,18)
InChIKeyOTHHLDBAVTYXFC-UHFFFAOYSA-N
XLogP1.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119370391
4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107326821
(2R)-3-methyl-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]butanoic acid
CID 119369658
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 107326734
4-fluoro-N-[2-(2-hydroxypropylamino)ethyl]-2,6-dimethylbenzenesulfonamide
CID 107328351
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 107327408
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid
CID 107326194
N-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 35515241
2-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 107325645
5-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]pentanethioamide
CID 107327675
3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 103052009

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylpropanamide (CID 107327415) is 3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylpropanamide is Cc1cc(F)cc(C)c1S(=O)(=O)NCCC(=O)NC(C)C.
What is the InChIKey of 3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylpropanamide?
The InChIKey is OTHHLDBAVTYXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-9(2)17-13(18)5-6-16-21(19,20)14-10(3)7-12(15)8-11(14)4/h7-9,16H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylpropanamide?
3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylpropanamide has a molecular weight of 316.40 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 107327415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).