3-[(2-methylpropylamino)methyl]benzenesulfonyl fluoride

C11H16FNO2S — CID 153373569

IUPAC3-[(2-methylpropylamino)methyl]benzenesulfonyl fluoride
SMILESCC(C)CNCc1cccc(S(=O)(=O)F)c1
InChIInChI=1S/C11H16FNO2S/c1-9(2)7-13-8-10-4-3-5-11(6-10)16(12,14)15/h3-6,9,13H,7-8H2,1-2H3
InChIKeyWDICECBMLLZGSV-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.09
Rot. Bonds5

About 3-[(2-methylpropylamino)methyl]benzenesulfonyl fluoride

3-[(2-methylpropylamino)methyl]benzenesulfonyl fluoride (PubChem CID 153373569) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-[(2-methylpropylamino)methyl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name3-[(2-methylpropylamino)methyl]benzenesulfonyl fluoride
PubChem CID153373569
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC Name3-[(2-methylpropylamino)methyl]benzenesulfonyl fluoride
SMILESCC(C)CNCc1cccc(S(=O)(=O)F)c1
InChIInChI=1S/C11H16FNO2S/c1-9(2)7-13-8-10-4-3-5-11(6-10)16(12,14)15/h3-6,9,13H,7-8H2,1-2H3
InChIKeyWDICECBMLLZGSV-UHFFFAOYSA-N
XLogP2.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2-methylpropylamino)methyl]phenyl] ethanesulfonate
CID 3321893
3-[[(3-fluorophenyl)methylamino]methyl]-N-propan-2-ylbenzenesulfonamide
CID 47620145
N-benzyl-3-[(benzylamino)methyl]-N-propan-2-ylbenzenesulfonamide
CID 59826220
3-[(2-phenylpropylamino)methyl]benzenesulfonamide
CID 60858820
3-propylbenzenesulfonyl fluoride
CID 153373581
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167
N-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine
CID 62422254
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62413210
3-(2,3-dimethylbutylsulfamoyl)benzenesulfonyl fluoride
CID 114958375
N-[1-(dimethylamino)propan-2-yl]-3-(ethylaminomethyl)benzenesulfonamide
CID 106074311
N-[[3-[(4-fluorophenyl)methylsulfanyl]phenyl]methyl]-2-methylpropan-1-amine
CID 66346761
2-[3-[(2-methylpropylamino)methyl]phenoxy]acetic acid
CID 102535865

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropylamino)methyl]benzenesulfonyl fluoride?
The IUPAC name of 3-[(2-methylpropylamino)methyl]benzenesulfonyl fluoride (CID 153373569) is 3-[(2-methylpropylamino)methyl]benzenesulfonyl fluoride.
What is the SMILES notation for 3-[(2-methylpropylamino)methyl]benzenesulfonyl fluoride?
The canonical SMILES for 3-[(2-methylpropylamino)methyl]benzenesulfonyl fluoride is CC(C)CNCc1cccc(S(=O)(=O)F)c1.
What is the InChIKey of 3-[(2-methylpropylamino)methyl]benzenesulfonyl fluoride?
The InChIKey is WDICECBMLLZGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2S/c1-9(2)7-13-8-10-4-3-5-11(6-10)16(12,14)15/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 3-[(2-methylpropylamino)methyl]benzenesulfonyl fluoride?
3-[(2-methylpropylamino)methyl]benzenesulfonyl fluoride has a molecular weight of 245.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropylamino)methyl]benzenesulfonyl fluoride is sourced from PubChem (CID 153373569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).