2-fluoro-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide

C13H20FN3O2S — CID 120707517

IUPAC2-fluoro-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCN2CCNCC2)c1F
InChIInChI=1S/C13H20FN3O2S/c1-11-3-2-4-12(13(11)14)20(18,19)16-7-10-17-8-5-15-6-9-17/h2-4,15-16H,5-10H2,1H3
InChIKeyRSMYLTQWHACSDM-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.32
Rot. Bonds5

About 2-fluoro-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide

2-fluoro-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide (PubChem CID 120707517) has the molecular formula C13H20FN3O2S and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
PubChem CID120707517
Molecular FormulaC13H20FN3O2S
Molecular Weight301.39 g/mol
Exact Mass301.13
IUPAC Name2-fluoro-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCN2CCNCC2)c1F
InChIInChI=1S/C13H20FN3O2S/c1-11-3-2-4-12(13(11)14)20(18,19)16-7-10-17-8-5-15-6-9-17/h2-4,15-16H,5-10H2,1H3
InChIKeyRSMYLTQWHACSDM-UHFFFAOYSA-N
XLogP0.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120707499
3-fluoro-2-nitro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966171
N-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 119966447
2-fluoro-6-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 120706459
3-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120999791
4-bromo-2-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120707438
2-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120720518
2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 115752213
4-fluoro-3,5-dimethyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119994706
3-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966394
2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966552
2-methyl-4-nitro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966622

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide (CID 120707517) is 2-fluoro-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide is Cc1cccc(S(=O)(=O)NCCN2CCNCC2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
The InChIKey is RSMYLTQWHACSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2S/c1-11-3-2-4-12(13(11)14)20(18,19)16-7-10-17-8-5-15-6-9-17/h2-4,15-16H,5-10H2,1H3.
What are the key properties of 2-fluoro-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
2-fluoro-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide has a molecular weight of 301.39 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 120707517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).