2-fluoro-N-methyl-5-methylsulfonyl-N-pentan-3-ylbenzenesulfonamide

C13H20FNO4S2 — CID 43571193

IUPAC2-fluoro-N-methyl-5-methylsulfonyl-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)N(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C13H20FNO4S2/c1-5-10(6-2)15(3)21(18,19)13-9-11(20(4,16)17)7-8-12(13)14/h7-10H,5-6H2,1-4H3
InChIKeyHPDJBVCLZSJUGX-UHFFFAOYSA-N
MW337.44 g/mol
LogP2.04
Rot. Bonds6

About 2-fluoro-N-methyl-5-methylsulfonyl-N-pentan-3-ylbenzenesulfonamide

2-fluoro-N-methyl-5-methylsulfonyl-N-pentan-3-ylbenzenesulfonamide (PubChem CID 43571193) has the molecular formula C13H20FNO4S2 and a molecular weight of 337.44 g/mol. Its IUPAC name is 2-fluoro-N-methyl-5-methylsulfonyl-N-pentan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-5-methylsulfonyl-N-pentan-3-ylbenzenesulfonamide
PubChem CID43571193
Molecular FormulaC13H20FNO4S2
Molecular Weight337.44 g/mol
Exact Mass337.08
IUPAC Name2-fluoro-N-methyl-5-methylsulfonyl-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)N(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C13H20FNO4S2/c1-5-10(6-2)15(3)21(18,19)13-9-11(20(4,16)17)7-8-12(13)14/h7-10H,5-6H2,1-4H3
InChIKeyHPDJBVCLZSJUGX-UHFFFAOYSA-N
XLogP2.04
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-N-ethyl-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 43454763
N-(2-aminopropyl)-2-fluoro-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 63767352
2-fluoro-N-methoxy-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 61051748
2-fluoro-5-methylsulfonylbenzenesulfonyl fluoride
CID 122236189
2-[ethyl-(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]acetamide
CID 103101779
N-(2-cyanoethyl)-N-ethyl-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 61046290
N-(azetidin-3-yl)-N-ethyl-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 66183403
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylsulfonylbenzenesulfonamide
CID 104868981
2-amino-4-fluoro-N-methyl-N-pentan-3-ylbenzenesulfonamide
CID 43570752
N-(2-aminoethyl)-N-cyclopropyl-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 61350717
N-butan-2-yl-N-methyl-2-(methylamino)-5-methylsulfonylbenzenesulfonamide
CID 62143236
2-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]butanethioamide
CID 61122446

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-5-methylsulfonyl-N-pentan-3-ylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-methyl-5-methylsulfonyl-N-pentan-3-ylbenzenesulfonamide (CID 43571193) is 2-fluoro-N-methyl-5-methylsulfonyl-N-pentan-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-methyl-5-methylsulfonyl-N-pentan-3-ylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-methyl-5-methylsulfonyl-N-pentan-3-ylbenzenesulfonamide is CCC(CC)N(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F.
What is the InChIKey of 2-fluoro-N-methyl-5-methylsulfonyl-N-pentan-3-ylbenzenesulfonamide?
The InChIKey is HPDJBVCLZSJUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO4S2/c1-5-10(6-2)15(3)21(18,19)13-9-11(20(4,16)17)7-8-12(13)14/h7-10H,5-6H2,1-4H3.
What are the key properties of 2-fluoro-N-methyl-5-methylsulfonyl-N-pentan-3-ylbenzenesulfonamide?
2-fluoro-N-methyl-5-methylsulfonyl-N-pentan-3-ylbenzenesulfonamide has a molecular weight of 337.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-5-methylsulfonyl-N-pentan-3-ylbenzenesulfonamide is sourced from PubChem (CID 43571193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).