N-(2-methylsulfonylethyl)benzenesulfonamide

C9H13NO4S2 — CID 63090699

IUPACN-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCS(=O)(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H13NO4S2/c1-15(11,12)8-7-10-16(13,14)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyPMNXXLXFGIXLJT-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.01
Rot. Bonds5

About N-(2-methylsulfonylethyl)benzenesulfonamide

N-(2-methylsulfonylethyl)benzenesulfonamide (PubChem CID 63090699) has the molecular formula C9H13NO4S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)benzenesulfonamide
PubChem CID63090699
Molecular FormulaC9H13NO4S2
Molecular Weight263.34 g/mol
Exact Mass263.03
IUPAC NameN-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCS(=O)(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H13NO4S2/c1-15(11,12)8-7-10-16(13,14)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyPMNXXLXFGIXLJT-UHFFFAOYSA-N
XLogP0.01
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(benzenesulfonamido)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 166199176
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
4-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 54935180
1-(benzenesulfonyl)-3-(2-methylsulfonylethyl)urea
CID 54774362
N-(2-iodoethyl)benzenesulfonamide
CID 68718657
N-tridecylbenzenesulfonamide
CID 3514704
N-(2-methylsulfonylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60926017
3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 110359442
N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
CID 54774356
2-[4-(2-methylsulfonylethylsulfamoyl)phenyl]ethanethioamide
CID 79185811
N-[2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]ethyl]benzenesulfonamide
CID 119975856
N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide
CID 58729767

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)benzenesulfonamide?
The IUPAC name of N-(2-methylsulfonylethyl)benzenesulfonamide (CID 63090699) is N-(2-methylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for N-(2-methylsulfonylethyl)benzenesulfonamide is CS(=O)(=O)CCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-methylsulfonylethyl)benzenesulfonamide?
The InChIKey is PMNXXLXFGIXLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S2/c1-15(11,12)8-7-10-16(13,14)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3.
What are the key properties of N-(2-methylsulfonylethyl)benzenesulfonamide?
N-(2-methylsulfonylethyl)benzenesulfonamide has a molecular weight of 263.34 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 63090699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).