(2S)-N-[(2-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide

C13H19ClN2O2S — CID 35293436

IUPAC(2S)-N-[(2-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide
SMILESC[C@H]1CCCCN1S(=O)(=O)NCc1ccccc1Cl
InChIInChI=1S/C13H19ClN2O2S/c1-11-6-4-5-9-16(11)19(17,18)15-10-12-7-2-3-8-13(12)14/h2-3,7-8,11,15H,4-6,9-10H2,1H3/t11-/m0/s1
InChIKeyPDVKQUDWGKJFMN-NSHDSACASA-N
MW302.83 g/mol
LogP2.55
Rot. Bonds4

About (2S)-N-[(2-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide

(2S)-N-[(2-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide (PubChem CID 35293436) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is (2S)-N-[(2-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N-[(2-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide
PubChem CID35293436
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name(2S)-N-[(2-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide
SMILESC[C@H]1CCCCN1S(=O)(=O)NCc1ccccc1Cl
InChIInChI=1S/C13H19ClN2O2S/c1-11-6-4-5-9-16(11)19(17,18)15-10-12-7-2-3-8-13(12)14/h2-3,7-8,11,15H,4-6,9-10H2,1H3/t11-/m0/s1
InChIKeyPDVKQUDWGKJFMN-NSHDSACASA-N
XLogP2.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(4-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 35288491
(2R)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpiperidine-1-sulfonamide
CID 35308806
2-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide
CID 106386243
2-methyl-N-phenacylpiperidine-1-sulfonamide
CID 64994247
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-methylpiperidine-1-sulfonamide
CID 79524471
2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide
CID 106067849
1-[(2-chlorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid
CID 60858419
N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106058650
N-[(3-cyanophenyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 47405516
(2S)-N-[2-[(S)-benzylsulfinyl]ethyl]-2-methylpiperidine-1-sulfonamide
CID 95322188
N-[(2-chlorophenyl)methyl]piperazine-1-sulfonamide
CID 28775763
N-(2-chloro-4-iodophenyl)-2-methylpiperidine-1-sulfonamide
CID 107606867

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide?
The IUPAC name of (2S)-N-[(2-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide (CID 35293436) is (2S)-N-[(2-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for (2S)-N-[(2-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for (2S)-N-[(2-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide is C[C@H]1CCCCN1S(=O)(=O)NCc1ccccc1Cl.
What is the InChIKey of (2S)-N-[(2-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide?
The InChIKey is PDVKQUDWGKJFMN-NSHDSACASA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-11-6-4-5-9-16(11)19(17,18)15-10-12-7-2-3-8-13(12)14/h2-3,7-8,11,15H,4-6,9-10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-N-[(2-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide?
(2S)-N-[(2-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 35293436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).