2-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide

C15H23ClN2O2S — CID 112502530

IUPAC2-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
SMILESCC1CCN(C(C)CNS(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-12-7-9-18(10-8-12)13(2)11-17-21(19,20)15-6-4-3-5-14(15)16/h3-6,12-13,17H,7-11H2,1-2H3
InChIKeyJYZBABHLWRNYJS-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.74
Rot. Bonds5

About 2-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide

2-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide (PubChem CID 112502530) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
PubChem CID112502530
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name2-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
SMILESCC1CCN(C(C)CNS(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-12-7-9-18(10-8-12)13(2)11-17-21(19,20)15-6-4-3-5-14(15)16/h3-6,12-13,17H,7-11H2,1-2H3
InChIKeyJYZBABHLWRNYJS-UHFFFAOYSA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]pyridine-3-sulfonamide
CID 86767944
2-(methylamino)-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 62152910
2-chloro-N-[(2S)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832456
2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832457
4-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-4-oxobutanamide
CID 110620731
N-[2-(4-methylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 112502519
2-bromo-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064542
N-[2-(4-benzylpiperazin-1-yl)propyl]naphthalene-1-sulfonamide
CID 162364683
N-benzyl-2-(4-methylpiperidin-1-yl)propan-1-amine
CID 18804080
2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-3-sulfamoylbenzamide
CID 75431995
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 47068814
N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide (CID 112502530) is 2-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide is CC1CCN(C(C)CNS(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide?
The InChIKey is JYZBABHLWRNYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-12-7-9-18(10-8-12)13(2)11-17-21(19,20)15-6-4-3-5-14(15)16/h3-6,12-13,17H,7-11H2,1-2H3.
What are the key properties of 2-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide?
2-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide has a molecular weight of 330.88 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 112502530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).