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

C11H19N3O4S2 — CID 106335914

IUPAC3-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)CCNS(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C11H19N3O4S2/c1-14(2)19(15,16)7-6-13-20(17,18)11-5-3-4-10(8-11)9-12/h3-5,8,13H,6-7,9,12H2,1-2H3
InChIKeyVDPRBELZCISCKT-UHFFFAOYSA-N
MW321.42 g/mol
LogP-0.69
Rot. Bonds7

About 3-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide

3-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide (PubChem CID 106335914) has the molecular formula C11H19N3O4S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
PubChem CID106335914
Molecular FormulaC11H19N3O4S2
Molecular Weight321.42 g/mol
Exact Mass321.08
IUPAC Name3-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)CCNS(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C11H19N3O4S2/c1-14(2)19(15,16)7-6-13-20(17,18)11-5-3-4-10(8-11)9-12/h3-5,8,13H,6-7,9,12H2,1-2H3
InChIKeyVDPRBELZCISCKT-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

3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 16786055
3-(aminomethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106335796
2-[[3-(aminomethyl)phenyl]sulfonylamino]ethylurea
CID 83116227
3-(aminomethyl)-N-(5-methylsulfanylpentyl)benzenesulfonamide
CID 106093703
3-(aminomethyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 106082233
2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
CID 106335927
3-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106433696
3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115406483
3-(aminomethyl)-N-(2,2-dimethylbutyl)benzenesulfonamide
CID 103461066
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61462673
2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106335923
3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 16794301

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide (CID 106335914) is 3-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide is CN(C)S(=O)(=O)CCNS(=O)(=O)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide?
The InChIKey is VDPRBELZCISCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S2/c1-14(2)19(15,16)7-6-13-20(17,18)11-5-3-4-10(8-11)9-12/h3-5,8,13H,6-7,9,12H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide?
3-(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 3-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106335914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).