2-[2-(methanesulfonamido)ethyl]-4-methylbenzenesulfonamide

C10H16N2O4S2 — CID 67901778

IUPAC2-[2-(methanesulfonamido)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(CCNS(C)(=O)=O)c1
InChIInChI=1S/C10H16N2O4S2/c1-8-3-4-10(18(11,15)16)9(7-8)5-6-12-17(2,13)14/h3-4,7,12H,5-6H2,1-2H3,(H2,11,15,16)
InChIKeyJPEBSSOHLFTXCH-UHFFFAOYSA-N
MW292.38 g/mol
LogP-0.27
Rot. Bonds5

About 2-[2-(methanesulfonamido)ethyl]-4-methylbenzenesulfonamide

2-[2-(methanesulfonamido)ethyl]-4-methylbenzenesulfonamide (PubChem CID 67901778) has the molecular formula C10H16N2O4S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)ethyl]-4-methylbenzenesulfonamide
PubChem CID67901778
Molecular FormulaC10H16N2O4S2
Molecular Weight292.38 g/mol
Exact Mass292.06
IUPAC Name2-[2-(methanesulfonamido)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(CCNS(C)(=O)=O)c1
InChIInChI=1S/C10H16N2O4S2/c1-8-3-4-10(18(11,15)16)9(7-8)5-6-12-17(2,13)14/h3-4,7,12H,5-6H2,1-2H3,(H2,11,15,16)
InChIKeyJPEBSSOHLFTXCH-UHFFFAOYSA-N
XLogP-0.27
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 67168218
2-but-3-enyl-4-methylbenzenesulfonamide
CID 175817922
2-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 175803772
N-[2-(2,5-diamino-3,4-dimethylphenyl)ethyl]methanesulfonamide
CID 174468655
N-[2-(5-tert-butyl-2-methylphenyl)ethyl]methanesulfonamide
CID 110787932
4-chloro-2-[2-(methanesulfonamido)ethyl]benzenesulfonic acid
CID 54148909
2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide
CID 175985871
4-methyl-2-(methylamino)benzenesulfonamide
CID 20558501
N-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide
CID 47429985
N-methyl-2-(4-methyl-2-methylsulfonylphenyl)ethanamine
CID 117327514
2-(2-formamidoethyl)-4-methylbenzenesulfonic acid
CID 88823138
2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 175985841

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methanesulfonamido)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-[2-(methanesulfonamido)ethyl]-4-methylbenzenesulfonamide (CID 67901778) is 2-[2-(methanesulfonamido)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-[2-(methanesulfonamido)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-[2-(methanesulfonamido)ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)c(CCNS(C)(=O)=O)c1.
What is the InChIKey of 2-[2-(methanesulfonamido)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is JPEBSSOHLFTXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S2/c1-8-3-4-10(18(11,15)16)9(7-8)5-6-12-17(2,13)14/h3-4,7,12H,5-6H2,1-2H3,(H2,11,15,16).
What are the key properties of 2-[2-(methanesulfonamido)ethyl]-4-methylbenzenesulfonamide?
2-[2-(methanesulfonamido)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 292.38 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methanesulfonamido)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 67901778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).