3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methylpropan-1-amine

C11H15ClFNO2S — CID 81202290

IUPAC3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C11H15ClFNO2S/c1-8(5-14)6-17(15,16)7-9-10(12)3-2-4-11(9)13/h2-4,8H,5-7,14H2,1H3
InChIKeyUFYNJMBYDNPNMC-UHFFFAOYSA-N
MW279.76 g/mol
LogP1.99
Rot. Bonds5

About 3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methylpropan-1-amine

3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methylpropan-1-amine (PubChem CID 81202290) has the molecular formula C11H15ClFNO2S and a molecular weight of 279.76 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methylpropan-1-amine
PubChem CID81202290
Molecular FormulaC11H15ClFNO2S
Molecular Weight279.76 g/mol
Exact Mass279.05
IUPAC Name3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C11H15ClFNO2S/c1-8(5-14)6-17(15,16)7-9-10(12)3-2-4-11(9)13/h2-4,8H,5-7,14H2,1H3
InChIKeyUFYNJMBYDNPNMC-UHFFFAOYSA-N
XLogP1.99
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.76
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-(2-chloro-6-fluorophenyl)-4-methylpentan-2-one
CID 116596491
5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine
CID 64721399
3-chloro-2-(2-methylpropylsulfonylmethyl)aniline
CID 63745299
5-[(2-chloro-6-fluorophenyl)methylsulfonyl]pentan-1-ol
CID 110911844
4-[(3-amino-2-methylpropyl)sulfonylmethyl]-3-fluorobenzamide
CID 81198489
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylpropane-1-sulfonamide
CID 79580202
1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide
CID 42563699
3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
CID 66059359
2-(2-chloro-6-fluorophenyl)-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylacetamide
CID 95625361
2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-ylacetamide
CID 39359888
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
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CID 99951031

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methylpropan-1-amine?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methylpropan-1-amine (CID 81202290) is 3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methylpropan-1-amine is CC(CN)CS(=O)(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methylpropan-1-amine?
The InChIKey is UFYNJMBYDNPNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO2S/c1-8(5-14)6-17(15,16)7-9-10(12)3-2-4-11(9)13/h2-4,8H,5-7,14H2,1H3.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methylpropan-1-amine?
3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methylpropan-1-amine has a molecular weight of 279.76 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81202290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).