2-fluoro-5-methylsulfonyl-N-(2-methylsulfonylethyl)benzenesulfonamide

C10H14FNO6S3 — CID 60918249

IUPAC2-fluoro-5-methylsulfonyl-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCS(=O)(=O)CCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C10H14FNO6S3/c1-19(13,14)6-5-12-21(17,18)10-7-8(20(2,15)16)3-4-9(10)11/h3-4,7,12H,5-6H2,1-2H3
InChIKeyNPGQAVPDNFBQQL-UHFFFAOYSA-N
MW359.42 g/mol
LogP-0.45
Rot. Bonds6

About 2-fluoro-5-methylsulfonyl-N-(2-methylsulfonylethyl)benzenesulfonamide

2-fluoro-5-methylsulfonyl-N-(2-methylsulfonylethyl)benzenesulfonamide (PubChem CID 60918249) has the molecular formula C10H14FNO6S3 and a molecular weight of 359.42 g/mol. Its IUPAC name is 2-fluoro-5-methylsulfonyl-N-(2-methylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-methylsulfonyl-N-(2-methylsulfonylethyl)benzenesulfonamide
PubChem CID60918249
Molecular FormulaC10H14FNO6S3
Molecular Weight359.42 g/mol
Exact Mass359.00
IUPAC Name2-fluoro-5-methylsulfonyl-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCS(=O)(=O)CCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C10H14FNO6S3/c1-19(13,14)6-5-12-21(17,18)10-7-8(20(2,15)16)3-4-9(10)11/h3-4,7,12H,5-6H2,1-2H3
InChIKeyNPGQAVPDNFBQQL-UHFFFAOYSA-N
XLogP-0.45
TPSA114.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-5-methylsulfonyl-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 113465537
N-(2-ethoxyethyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 43591361
2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide
CID 83058758
2-fluoro-5-methylsulfonyl-N-(2-prop-2-ynylsulfanylethyl)benzenesulfonamide
CID 106427308
N-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 66177540
2-fluoro-N-(2-methoxy-2-methylpropyl)-5-methylsulfonylbenzenesulfonamide
CID 104760016
2-fluoro-N-(3-hydroxy-2-methylpropyl)-5-methylsulfonylbenzenesulfonamide
CID 65034606
N-ethoxy-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 64973761
4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 116528194
5-amino-2-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333323
5-amino-4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 116529842
3-amino-4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 61126580

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methylsulfonyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-5-methylsulfonyl-N-(2-methylsulfonylethyl)benzenesulfonamide (CID 60918249) is 2-fluoro-5-methylsulfonyl-N-(2-methylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-methylsulfonyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-methylsulfonyl-N-(2-methylsulfonylethyl)benzenesulfonamide is CS(=O)(=O)CCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F.
What is the InChIKey of 2-fluoro-5-methylsulfonyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The InChIKey is NPGQAVPDNFBQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO6S3/c1-19(13,14)6-5-12-21(17,18)10-7-8(20(2,15)16)3-4-9(10)11/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 2-fluoro-5-methylsulfonyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
2-fluoro-5-methylsulfonyl-N-(2-methylsulfonylethyl)benzenesulfonamide has a molecular weight of 359.42 g/mol, XLogP of -0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methylsulfonyl-N-(2-methylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 60918249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).