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

C13H19ClN2O2S — CID 106630491

IUPAC2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCCCN1)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H19ClN2O2S/c1-16(10-11-6-4-5-9-15-11)19(17,18)13-8-3-2-7-12(13)14/h2-3,7-8,11,15H,4-6,9-10H2,1H3
InChIKeyPYHSXRJNFNZHDM-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.10
Rot. Bonds4

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

2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106630491) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
PubChem CID106630491
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCCCN1)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H19ClN2O2S/c1-16(10-11-6-4-5-9-15-11)19(17,18)13-8-3-2-7-12(13)14/h2-3,7-8,11,15H,4-6,9-10H2,1H3
InChIKeyPYHSXRJNFNZHDM-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630423
4-bromo-2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630528
2-[2-(2-chlorophenyl)sulfonylethyl]piperidine
CID 112741660
3-chloro-N-ethyl-2-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630366
2-chloro-N-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607127
4-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607116
2-fluoro-N,5-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630409
3-acetyl-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630402
N-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106622977
3-chloro-4-cyano-N-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607226
N-(2-chlorophenyl)-3-[methyl(piperidin-2-ylmethyl)amino]propanamide
CID 106635404
N,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607033

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide (CID 106630491) is 2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide is CN(CC1CCCCN1)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is PYHSXRJNFNZHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-16(10-11-6-4-5-9-15-11)19(17,18)13-8-3-2-7-12(13)14/h2-3,7-8,11,15H,4-6,9-10H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106630491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).