1-[[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]methyl]-3-methoxybenzene

C12H18F2N2O4S — CID 104858736

IUPAC1-[[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]methyl]-3-methoxybenzene
SMILESCOc1cccc(CN(C)S(=O)(=O)NCC(F)(F)CO)c1
InChIInChI=1S/C12H18F2N2O4S/c1-16(7-10-4-3-5-11(6-10)20-2)21(18,19)15-8-12(13,14)9-17/h3-6,15,17H,7-9H2,1-2H3
InChIKeyMGMFEXPQIUSORH-UHFFFAOYSA-N
MW324.35 g/mol
LogP0.59
Rot. Bonds8

About 1-[[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]methyl]-3-methoxybenzene

1-[[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]methyl]-3-methoxybenzene (PubChem CID 104858736) has the molecular formula C12H18F2N2O4S and a molecular weight of 324.35 g/mol. Its IUPAC name is 1-[[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]methyl]-3-methoxybenzene.

Molecular Properties

Compound Name1-[[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]methyl]-3-methoxybenzene
PubChem CID104858736
Molecular FormulaC12H18F2N2O4S
Molecular Weight324.35 g/mol
Exact Mass324.10
IUPAC Name1-[[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]methyl]-3-methoxybenzene
SMILESCOc1cccc(CN(C)S(=O)(=O)NCC(F)(F)CO)c1
InChIInChI=1S/C12H18F2N2O4S/c1-16(7-10-4-3-5-11(6-10)20-2)21(18,19)15-8-12(13,14)9-17/h3-6,15,17H,7-9H2,1-2H3
InChIKeyMGMFEXPQIUSORH-UHFFFAOYSA-N
XLogP0.59
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]methyl]-3-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl-methylamino]methyl]-3-methoxybenzene
CID 64556823
1-[[[(2R)-1-hydroxypropan-2-yl]sulfamoyl-methylamino]methyl]-3-methoxybenzene
CID 79027963
(3-methoxyphenyl)methyl-methylsulfamic acid
CID 112705076
1-[[2-ethylbutylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene
CID 115613403
1-[[2-hydroxypentylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene
CID 115754479
3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 81265085
2-[(3-methoxyphenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787774
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylethanesulfonamide
CID 39359758
(3R)-3-[[(3-methoxyphenyl)methyl-methylsulfamoyl]amino]pyrrolidine
CID 79685210
1-hydroxy-1-[(3-methoxyphenyl)methyl]-3-methylurea
CID 134104762
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylazetidine-1-sulfonamide
CID 65245123
N-[(3-methoxyphenyl)methyl-methylsulfamoyl]-N-methylazetidin-3-amine
CID 66188280

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]methyl]-3-methoxybenzene?
The IUPAC name of 1-[[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]methyl]-3-methoxybenzene (CID 104858736) is 1-[[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]methyl]-3-methoxybenzene.
What is the SMILES notation for 1-[[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]methyl]-3-methoxybenzene?
The canonical SMILES for 1-[[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]methyl]-3-methoxybenzene is COc1cccc(CN(C)S(=O)(=O)NCC(F)(F)CO)c1.
What is the InChIKey of 1-[[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]methyl]-3-methoxybenzene?
The InChIKey is MGMFEXPQIUSORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O4S/c1-16(7-10-4-3-5-11(6-10)20-2)21(18,19)15-8-12(13,14)9-17/h3-6,15,17H,7-9H2,1-2H3.
What are the key properties of 1-[[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]methyl]-3-methoxybenzene?
1-[[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]methyl]-3-methoxybenzene has a molecular weight of 324.35 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]methyl]-3-methoxybenzene is sourced from PubChem (CID 104858736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).