4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide

C12H17FN2O2S — CID 28810997

IUPAC4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC1CCNCC1
InChIInChI=1S/C12H17FN2O2S/c1-9-8-10(13)2-3-12(9)18(16,17)15-11-4-6-14-7-5-11/h2-3,8,11,14-15H,4-7H2,1H3
InChIKeyRUQWUGKZAOLOAO-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.16
Rot. Bonds3

About 4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide

4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 28810997) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide
PubChem CID28810997
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC1CCNCC1
InChIInChI=1S/C12H17FN2O2S/c1-9-8-10(13)2-3-12(9)18(16,17)15-11-4-6-14-7-5-11/h2-3,8,11,14-15H,4-7H2,1H3
InChIKeyRUQWUGKZAOLOAO-UHFFFAOYSA-N
XLogP1.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 107326148
4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
CID 124516981
2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 115752112
N-(1-cyclopentylpiperidin-4-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 110752098
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 43597451
2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684830
1-N,2-dimethyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
CID 120874426
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide
CID 119386020
4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606895
2-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 62380980
6-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120874460
3-fluoro-4-methylsulfonyl-N-piperidin-4-ylbenzenesulfonamide
CID 119960411

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide (CID 28810997) is 4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NC1CCNCC1.
What is the InChIKey of 4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is RUQWUGKZAOLOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-9-8-10(13)2-3-12(9)18(16,17)15-11-4-6-14-7-5-11/h2-3,8,11,14-15H,4-7H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide?
4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 272.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 28810997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).