ethane;N-[(2-methylphenyl)methyl]propane-2-sulfonamide

C13H23NO2S — CID 160662868

IUPACethane;N-[(2-methylphenyl)methyl]propane-2-sulfonamide
SMILESCC.Cc1ccccc1CNS(=O)(=O)C(C)C
InChIInChI=1S/C11H17NO2S.C2H6/c1-9(2)15(13,14)12-8-11-7-5-4-6-10(11)3;1-2/h4-7,9,12H,8H2,1-3H3;1-2H3
InChIKeyRLXFSJYKRWWMAM-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.85
Rot. Bonds4

About ethane;N-[(2-methylphenyl)methyl]propane-2-sulfonamide

ethane;N-[(2-methylphenyl)methyl]propane-2-sulfonamide (PubChem CID 160662868) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is ethane;N-[(2-methylphenyl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound Nameethane;N-[(2-methylphenyl)methyl]propane-2-sulfonamide
PubChem CID160662868
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Nameethane;N-[(2-methylphenyl)methyl]propane-2-sulfonamide
SMILESCC.Cc1ccccc1CNS(=O)(=O)C(C)C
InChIInChI=1S/C11H17NO2S.C2H6/c1-9(2)15(13,14)12-8-11-7-5-4-6-10(11)3;1-2/h4-7,9,12H,8H2,1-3H3;1-2H3
InChIKeyRLXFSJYKRWWMAM-UHFFFAOYSA-N
XLogP2.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methanesulfonic acid;1-(2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 173322724
4-amino-N-[(2-methylphenyl)methyl]butane-1-sulfonamide
CID 54952252
2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60903937
N-[1-(2-methylphenyl)propan-2-yl]ethanesulfonamide
CID 47372753
ethane;(3S)-3-[(2-methylphenyl)methylamino]butan-2-one
CID 90780067
N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 110865640
N-[2-(2-bromophenyl)ethyl]propane-2-sulfonamide
CID 48945854
2-[(2-hydroxyphenyl)methylsulfamoyl]propanoic acid
CID 114331355
N-[(2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110771426
N-[(5-methylfuran-2-yl)methyl]propane-2-sulfonamide
CID 64584548
1-[3-(aminomethyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide
CID 60979279
3-amino-4-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60904241

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2-methylphenyl)methyl]propane-2-sulfonamide?
The IUPAC name of ethane;N-[(2-methylphenyl)methyl]propane-2-sulfonamide (CID 160662868) is ethane;N-[(2-methylphenyl)methyl]propane-2-sulfonamide.
What is the SMILES notation for ethane;N-[(2-methylphenyl)methyl]propane-2-sulfonamide?
The canonical SMILES for ethane;N-[(2-methylphenyl)methyl]propane-2-sulfonamide is CC.Cc1ccccc1CNS(=O)(=O)C(C)C.
What is the InChIKey of ethane;N-[(2-methylphenyl)methyl]propane-2-sulfonamide?
The InChIKey is RLXFSJYKRWWMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S.C2H6/c1-9(2)15(13,14)12-8-11-7-5-4-6-10(11)3;1-2/h4-7,9,12H,8H2,1-3H3;1-2H3.
What are the key properties of ethane;N-[(2-methylphenyl)methyl]propane-2-sulfonamide?
ethane;N-[(2-methylphenyl)methyl]propane-2-sulfonamide has a molecular weight of 257.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2-methylphenyl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 160662868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).