3-chloro-2-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide

C13H18ClFN2O2S — CID 106630423

IUPAC3-chloro-2-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCCCN1)S(=O)(=O)c1cccc(Cl)c1F
InChIInChI=1S/C13H18ClFN2O2S/c1-17(9-10-5-2-3-8-16-10)20(18,19)12-7-4-6-11(14)13(12)15/h4,6-7,10,16H,2-3,5,8-9H2,1H3
InChIKeyUSPJZGNQWRLMAD-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.24
Rot. Bonds4

About 3-chloro-2-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide

3-chloro-2-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106630423) has the molecular formula C13H18ClFN2O2S and a molecular weight of 320.82 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
PubChem CID106630423
Molecular FormulaC13H18ClFN2O2S
Molecular Weight320.82 g/mol
Exact Mass320.08
IUPAC Name3-chloro-2-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCCCN1)S(=O)(=O)c1cccc(Cl)c1F
InChIInChI=1S/C13H18ClFN2O2S/c1-17(9-10-5-2-3-8-16-10)20(18,19)12-7-4-6-11(14)13(12)15/h4,6-7,10,16H,2-3,5,8-9H2,1H3
InChIKeyUSPJZGNQWRLMAD-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630491
4-bromo-2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630528
N-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106622977
2-fluoro-N,5-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630409
3-chloro-N-ethyl-2-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630366
4-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607116
2-chloro-N-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607127
3-acetyl-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630402
2-[2-(2-chlorophenyl)sulfonylethyl]piperidine
CID 112741660
5-fluoro-N-methyl-N-(piperidin-2-ylmethyl)pyridine-3-sulfonamide
CID 106630495
3-chloro-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608668
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622184

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide (CID 106630423) is 3-chloro-2-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide is CN(CC1CCCCN1)S(=O)(=O)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is USPJZGNQWRLMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O2S/c1-17(9-10-5-2-3-8-16-10)20(18,19)12-7-4-6-11(14)13(12)15/h4,6-7,10,16H,2-3,5,8-9H2,1H3.
What are the key properties of 3-chloro-2-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
3-chloro-2-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 320.82 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106630423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).