2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide

C11H19N3O4S2 — CID 106335927

IUPAC2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)CCNS(=O)(=O)c1ccccc1CN
InChIInChI=1S/C11H19N3O4S2/c1-14(2)19(15,16)8-7-13-20(17,18)11-6-4-3-5-10(11)9-12/h3-6,13H,7-9,12H2,1-2H3
InChIKeyQPVCNVJMKVHJSM-UHFFFAOYSA-N
MW321.42 g/mol
LogP-0.69
Rot. Bonds7

About 2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide

2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide (PubChem CID 106335927) has the molecular formula C11H19N3O4S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
PubChem CID106335927
Molecular FormulaC11H19N3O4S2
Molecular Weight321.42 g/mol
Exact Mass321.08
IUPAC Name2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)CCNS(=O)(=O)c1ccccc1CN
InChIInChI=1S/C11H19N3O4S2/c1-14(2)19(15,16)8-7-13-20(17,18)11-6-4-3-5-10(11)9-12/h3-6,13H,7-9,12H2,1-2H3
InChIKeyQPVCNVJMKVHJSM-UHFFFAOYSA-N
XLogP-0.69
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106335923
2-(aminomethyl)-N-[3-(diethylamino)propyl]benzenesulfonamide
CID 16788421
2-(aminomethyl)-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 106066338
3-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
CID 106335914
2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60903937
3-amino-2,4-dichloro-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
CID 106333613
2-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115406487
2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104759943
2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82945773
2-[2-[[2-(aminomethyl)phenyl]sulfonylamino]ethoxy]acetamide
CID 106235304
3-(aminomethyl)-N-[4-(dimethylamino)butyl]-2-methylbenzenesulfonamide
CID 106051784
2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348234

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide (CID 106335927) is 2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide is CN(C)S(=O)(=O)CCNS(=O)(=O)c1ccccc1CN.
What is the InChIKey of 2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide?
The InChIKey is QPVCNVJMKVHJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S2/c1-14(2)19(15,16)8-7-13-20(17,18)11-6-4-3-5-10(11)9-12/h3-6,13H,7-9,12H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide?
2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide has a molecular weight of 321.42 g/mol, XLogP of -0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106335927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).