2-chloro-6-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide

C12H16ClFN2O2S — CID 120713789

IUPAC2-chloro-6-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
SMILESCC1CC(NS(=O)(=O)c2c(F)cccc2Cl)CCN1
InChIInChI=1S/C12H16ClFN2O2S/c1-8-7-9(5-6-15-8)16-19(17,18)12-10(13)3-2-4-11(12)14/h2-4,8-9,15-16H,5-7H2,1H3
InChIKeyIARCEJYPHLTMKK-UHFFFAOYSA-N
MW306.79 g/mol
LogP1.90
Rot. Bonds3

About 2-chloro-6-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide

2-chloro-6-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 120713789) has the molecular formula C12H16ClFN2O2S and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID120713789
Molecular FormulaC12H16ClFN2O2S
Molecular Weight306.79 g/mol
Exact Mass306.06
IUPAC Name2-chloro-6-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
SMILESCC1CC(NS(=O)(=O)c2c(F)cccc2Cl)CCN1
InChIInChI=1S/C12H16ClFN2O2S/c1-8-7-9(5-6-15-8)16-19(17,18)12-10(13)3-2-4-11(12)14/h2-4,8-9,15-16H,5-7H2,1H3
InChIKeyIARCEJYPHLTMKK-UHFFFAOYSA-N
XLogP1.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120713810
2-cyano-3-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995781
4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 107328379
2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995674
2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545218
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide
CID 120586000
2,6-dichloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960503
3-[(2,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66030948
2-fluoro-4-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120585737
5-bromo-2-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 120586069
2,3,5,6-tetramethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586042
N-(2-methylpiperidin-4-yl)-2-methylsulfanylbenzenesulfonamide
CID 120713766

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-6-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide (CID 120713789) is 2-chloro-6-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide is CC1CC(NS(=O)(=O)c2c(F)cccc2Cl)CCN1.
What is the InChIKey of 2-chloro-6-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is IARCEJYPHLTMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2S/c1-8-7-9(5-6-15-8)16-19(17,18)12-10(13)3-2-4-11(12)14/h2-4,8-9,15-16H,5-7H2,1H3.
What are the key properties of 2-chloro-6-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide?
2-chloro-6-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 306.79 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 120713789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).