4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide

C12H19FN2O4S2 — CID 113064906

IUPAC4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
SMILESCCCN(CCNS(=O)(=O)c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C12H19FN2O4S2/c1-3-9-15(20(2,16)17)10-8-14-21(18,19)12-6-4-11(13)5-7-12/h4-7,14H,3,8-10H2,1-2H3
InChIKeyOBCHNWWVFKXSRJ-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.78
Rot. Bonds8

About 4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide

4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide (PubChem CID 113064906) has the molecular formula C12H19FN2O4S2 and a molecular weight of 338.43 g/mol. Its IUPAC name is 4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
PubChem CID113064906
Molecular FormulaC12H19FN2O4S2
Molecular Weight338.43 g/mol
Exact Mass338.08
IUPAC Name4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
SMILESCCCN(CCNS(=O)(=O)c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C12H19FN2O4S2/c1-3-9-15(20(2,16)17)10-8-14-21(18,19)12-6-4-11(13)5-7-12/h4-7,14H,3,8-10H2,1-2H3
InChIKeyOBCHNWWVFKXSRJ-UHFFFAOYSA-N
XLogP0.78
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
CID 113064904
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-methylsulfonylamino]ethyl]benzenesulfonamide
CID 3245216
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide
CID 113065646
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide
CID 113065161
4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62640402
N-[2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]ethyl]propane-1-sulfonamide
CID 113067647
2,4,6-trimethyl-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
CID 113064916
4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47298915
4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62845055
4-chloro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide
CID 113066109
N-ethyl-4-fluoro-N-propylbenzenesulfonamide
CID 43414951
N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide
CID 43606529

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide (CID 113064906) is 4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide is CCCN(CCNS(=O)(=O)c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of 4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide?
The InChIKey is OBCHNWWVFKXSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O4S2/c1-3-9-15(20(2,16)17)10-8-14-21(18,19)12-6-4-11(13)5-7-12/h4-7,14H,3,8-10H2,1-2H3.
What are the key properties of 4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide?
4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide has a molecular weight of 338.43 g/mol, XLogP of 0.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 113064906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).