4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide

C13H19FN2O2S — CID 54923408

IUPAC4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N(C)C1CCCNC1
InChIInChI=1S/C13H19FN2O2S/c1-10-8-11(14)5-6-13(10)19(17,18)16(2)12-4-3-7-15-9-12/h5-6,8,12,15H,3-4,7,9H2,1-2H3
InChIKeyRYRSEACMEUFZSI-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.51
Rot. Bonds3

About 4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide

4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide (PubChem CID 54923408) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide
PubChem CID54923408
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N(C)C1CCCNC1
InChIInChI=1S/C13H19FN2O2S/c1-10-8-11(14)5-6-13(10)19(17,18)16(2)12-4-3-7-15-9-12/h5-6,8,12,15H,3-4,7,9H2,1-2H3
InChIKeyRYRSEACMEUFZSI-UHFFFAOYSA-N
XLogP1.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63644245
N-ethyl-4-fluoro-2-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 60805705
4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606895
2-bromo-4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63297707
4-fluoro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79116751
2,6-difluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63642307
4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide
CID 55228435
N-(azetidin-3-yl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 66186864
2-fluoro-N,5-dimethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298118
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55172954
N-(2-bromoethyl)-N-cyclobutyl-4-fluoro-2-methylbenzenesulfonamide
CID 102873544

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide (CID 54923408) is 4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)N(C)C1CCCNC1.
What is the InChIKey of 4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide?
The InChIKey is RYRSEACMEUFZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-10-8-11(14)5-6-13(10)19(17,18)16(2)12-4-3-7-15-9-12/h5-6,8,12,15H,3-4,7,9H2,1-2H3.
What are the key properties of 4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide?
4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 54923408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).