3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylbutan-2-amine

C11H15ClFNO2S — CID 64673551

IUPAC3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylbutan-2-amine
SMILESCNC(C)C(C)S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFNO2S/c1-7(14-3)8(2)17(15,16)9-4-5-11(13)10(12)6-9/h4-8,14H,1-3H3
InChIKeyMDQIBJPNKXGSNU-UHFFFAOYSA-N
MW279.76 g/mol
LogP2.25
Rot. Bonds4

About 3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylbutan-2-amine

3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylbutan-2-amine (PubChem CID 64673551) has the molecular formula C11H15ClFNO2S and a molecular weight of 279.76 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylbutan-2-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylbutan-2-amine
PubChem CID64673551
Molecular FormulaC11H15ClFNO2S
Molecular Weight279.76 g/mol
Exact Mass279.05
IUPAC Name3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylbutan-2-amine
SMILESCNC(C)C(C)S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFNO2S/c1-7(14-3)8(2)17(15,16)9-4-5-11(13)10(12)6-9/h4-8,14H,1-3H3
InChIKeyMDQIBJPNKXGSNU-UHFFFAOYSA-N
XLogP2.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.76
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)sulfonylethanethiol
CID 147177623
2-(3-chloro-4-fluorophenyl)sulfonylpropanenitrile
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CID 47218027
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methylbutan-2-amine
CID 64644677
3-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine
CID 64644955
3-chloro-N-[(1R)-1-cyanoethyl]-4-fluorobenzenesulfonamide
CID 97061579
3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43502351
3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 697776
(2S,3R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 93302578
3-(3-chloro-4-fluorophenyl)sulfonylpentanenitrile
CID 64690807
3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 5184702
2-chloro-1-fluoro-4-(4-methylsulfonylphenyl)benzene
CID 70265699

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylbutan-2-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylbutan-2-amine (CID 64673551) is 3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylbutan-2-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylbutan-2-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylbutan-2-amine is CNC(C)C(C)S(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylbutan-2-amine?
The InChIKey is MDQIBJPNKXGSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO2S/c1-7(14-3)8(2)17(15,16)9-4-5-11(13)10(12)6-9/h4-8,14H,1-3H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylbutan-2-amine?
3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylbutan-2-amine has a molecular weight of 279.76 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylbutan-2-amine is sourced from PubChem (CID 64673551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).