1-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylsulfonylbenzene

C13H22N2O4S2 — CID 39662817

IUPAC1-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylsulfonylbenzene
SMILESCCCCN(C)S(=O)(=O)NCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H22N2O4S2/c1-4-5-10-15(2)21(18,19)14-11-12-6-8-13(9-7-12)20(3,16)17/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyDSSNQFDLTGYXQK-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.16
Rot. Bonds8

About 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylsulfonylbenzene

1-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylsulfonylbenzene (PubChem CID 39662817) has the molecular formula C13H22N2O4S2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylsulfonylbenzene.

Molecular Properties

Compound Name1-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylsulfonylbenzene
PubChem CID39662817
Molecular FormulaC13H22N2O4S2
Molecular Weight334.46 g/mol
Exact Mass334.10
IUPAC Name1-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylsulfonylbenzene
SMILESCCCCN(C)S(=O)(=O)NCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H22N2O4S2/c1-4-5-10-15(2)21(18,19)14-11-12-6-8-13(9-7-12)20(3,16)17/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyDSSNQFDLTGYXQK-UHFFFAOYSA-N
XLogP1.16
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylsulfonylphenyl)methyl]propane-1-sulfonamide
CID 47387345
5-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81099217
N,4-dibutyl-N-methylbenzenesulfonamide
CID 3736049
4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyrrolidin-1-ylpyridine
CID 47027396
4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-phenylmethoxypyridine
CID 47064895
N-[3-[[butyl(methyl)sulfamoyl]amino]propyl]methanesulfonamide
CID 51078399
5-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole
CID 60982439
1-[3-[[[butyl(methyl)sulfamoyl]amino]methyl]benzoyl]pyrrolidine
CID 47064925
1-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-(difluoromethoxy)benzene
CID 86931192
N-[(4-butylphenyl)methyl]methanesulfonamide
CID 22246914
3-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]pyridine
CID 47171225
5-amino-4-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole
CID 79530009

Frequently Asked Questions

What is the IUPAC name of 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylsulfonylbenzene?
The IUPAC name of 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylsulfonylbenzene (CID 39662817) is 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylsulfonylbenzene.
What is the SMILES notation for 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylsulfonylbenzene?
The canonical SMILES for 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylsulfonylbenzene is CCCCN(C)S(=O)(=O)NCc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylsulfonylbenzene?
The InChIKey is DSSNQFDLTGYXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S2/c1-4-5-10-15(2)21(18,19)14-11-12-6-8-13(9-7-12)20(3,16)17/h6-9,14H,4-5,10-11H2,1-3H3.
What are the key properties of 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylsulfonylbenzene?
1-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylsulfonylbenzene has a molecular weight of 334.46 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylsulfonylbenzene is sourced from PubChem (CID 39662817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).