2,4-difluoro-5-methyl-N-piperidin-3-ylbenzenesulfonamide

C12H16F2N2O2S — CID 119964177

IUPAC2,4-difluoro-5-methyl-N-piperidin-3-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCCNC2)c(F)cc1F
InChIInChI=1S/C12H16F2N2O2S/c1-8-5-12(11(14)6-10(8)13)19(17,18)16-9-3-2-4-15-7-9/h5-6,9,15-16H,2-4,7H2,1H3
InChIKeyNEXLZURWDRHLCT-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.30
Rot. Bonds3

About 2,4-difluoro-5-methyl-N-piperidin-3-ylbenzenesulfonamide

2,4-difluoro-5-methyl-N-piperidin-3-ylbenzenesulfonamide (PubChem CID 119964177) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is 2,4-difluoro-5-methyl-N-piperidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-5-methyl-N-piperidin-3-ylbenzenesulfonamide
PubChem CID119964177
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC Name2,4-difluoro-5-methyl-N-piperidin-3-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCCNC2)c(F)cc1F
InChIInChI=1S/C12H16F2N2O2S/c1-8-5-12(11(14)6-10(8)13)19(17,18)16-9-3-2-4-15-7-9/h5-6,9,15-16H,2-4,7H2,1H3
InChIKeyNEXLZURWDRHLCT-UHFFFAOYSA-N
XLogP1.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2,4-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 166174754
2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 124625901
2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716722
2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723761
2-fluoro-5-methylsulfonyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982715
5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716768
4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723768
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride
CID 119967769
2,5-dimethyl-3-methylsulfonyl-N-piperidin-3-ylbenzenesulfonamide
CID 119964596
N-(azetidin-3-yl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide
CID 122150384
2-fluoro-4,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686087
2-bromo-4-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 55204708

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-methyl-N-piperidin-3-ylbenzenesulfonamide?
The IUPAC name of 2,4-difluoro-5-methyl-N-piperidin-3-ylbenzenesulfonamide (CID 119964177) is 2,4-difluoro-5-methyl-N-piperidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-5-methyl-N-piperidin-3-ylbenzenesulfonamide?
The canonical SMILES for 2,4-difluoro-5-methyl-N-piperidin-3-ylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC2CCCNC2)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-methyl-N-piperidin-3-ylbenzenesulfonamide?
The InChIKey is NEXLZURWDRHLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c1-8-5-12(11(14)6-10(8)13)19(17,18)16-9-3-2-4-15-7-9/h5-6,9,15-16H,2-4,7H2,1H3.
What are the key properties of 2,4-difluoro-5-methyl-N-piperidin-3-ylbenzenesulfonamide?
2,4-difluoro-5-methyl-N-piperidin-3-ylbenzenesulfonamide has a molecular weight of 290.33 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-methyl-N-piperidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 119964177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).