2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide

C12H16ClFN2O2S — CID 63644245

IUPAC2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
SMILESCN(C1CCCNC1)S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O2S/c1-16(10-3-2-6-15-8-10)19(17,18)12-5-4-9(14)7-11(12)13/h4-5,7,10,15H,2-3,6,8H2,1H3
InChIKeyUAXMFOYFUYCULD-UHFFFAOYSA-N
MW306.79 g/mol
LogP1.85
Rot. Bonds3

About 2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide

2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide (PubChem CID 63644245) has the molecular formula C12H16ClFN2O2S and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
PubChem CID63644245
Molecular FormulaC12H16ClFN2O2S
Molecular Weight306.79 g/mol
Exact Mass306.06
IUPAC Name2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
SMILESCN(C1CCCNC1)S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O2S/c1-16(10-3-2-6-15-8-10)19(17,18)12-5-4-9(14)7-11(12)13/h4-5,7,10,15H,2-3,6,8H2,1H3
InChIKeyUAXMFOYFUYCULD-UHFFFAOYSA-N
XLogP1.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide
CID 54923408
2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299481
2-bromo-4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63297707
N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 79121895
2,4,6-trichloro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63642660
N-(azetidin-3-yl)-2-chloro-4-fluoro-N-propylbenzenesulfonamide
CID 66215680
2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806432
N-ethyl-4-fluoro-2-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 60805705
2,6-difluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63642307
2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298034
4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79701650

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide (CID 63644245) is 2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide is CN(C1CCCNC1)S(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide?
The InChIKey is UAXMFOYFUYCULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2S/c1-16(10-3-2-6-15-8-10)19(17,18)12-5-4-9(14)7-11(12)13/h4-5,7,10,15H,2-3,6,8H2,1H3.
What are the key properties of 2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide?
2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide has a molecular weight of 306.79 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 63644245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).