4-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide

C11H18N2O4S2 — CID 54935180

IUPAC4-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCS(C)(=O)=O)cc1
InChIInChI=1S/C11H18N2O4S2/c1-12-9-10-3-5-11(6-4-10)19(16,17)13-7-8-18(2,14)15/h3-6,12-13H,7-9H2,1-2H3
InChIKeyMLIDPKWKCTVKTP-UHFFFAOYSA-N
MW306.41 g/mol
LogP-0.27
Rot. Bonds7

About 4-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide

4-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide (PubChem CID 54935180) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide
PubChem CID54935180
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC Name4-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCS(C)(=O)=O)cc1
InChIInChI=1S/C11H18N2O4S2/c1-12-9-10-3-5-11(6-4-10)19(16,17)13-7-8-18(2,14)15/h3-6,12-13H,7-9H2,1-2H3
InChIKeyMLIDPKWKCTVKTP-UHFFFAOYSA-N
XLogP-0.27
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylsulfonylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60926017
N-ethyl-4-(methylaminomethyl)benzenesulfonamide
CID 60821797
N-(2-methylsulfonylethyl)benzenesulfonamide
CID 63090699
2-[4-(2-methylsulfonylethylsulfamoyl)phenyl]ethanethioamide
CID 79185811
N-(2-cyclohexylethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 60915978
4-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106402341
4-(methylaminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106419948
4-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64531771
3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 110359442
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 65243443
N-[(2-bromophenyl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 61414020
4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 60823404

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide (CID 54935180) is 4-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)NCCS(C)(=O)=O)cc1.
What is the InChIKey of 4-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide?
The InChIKey is MLIDPKWKCTVKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-12-9-10-3-5-11(6-4-10)19(16,17)13-7-8-18(2,14)15/h3-6,12-13H,7-9H2,1-2H3.
What are the key properties of 4-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide?
4-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide has a molecular weight of 306.41 g/mol, XLogP of -0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 54935180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).