4-[(dimethylamino)methyl]-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

C14H24ClN3O2S — CID 120874458

IUPAC4-[(dimethylamino)methyl]-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCN(C)Cc1ccc(S(=O)(=O)NC2CCNCC2)cc1.Cl
InChIInChI=1S/C14H23N3O2S.ClH/c1-17(2)11-12-3-5-14(6-4-12)20(18,19)16-13-7-9-15-10-8-13;/h3-6,13,15-16H,7-11H2,1-2H3;1H
InChIKeyFSZCBYDKVDZRIW-UHFFFAOYSA-N
MW333.89 g/mol
LogP1.20
Rot. Bonds5

About 4-[(dimethylamino)methyl]-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

4-[(dimethylamino)methyl]-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (PubChem CID 120874458) has the molecular formula C14H24ClN3O2S and a molecular weight of 333.89 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
PubChem CID120874458
Molecular FormulaC14H24ClN3O2S
Molecular Weight333.89 g/mol
Exact Mass333.13
IUPAC Name4-[(dimethylamino)methyl]-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCN(C)Cc1ccc(S(=O)(=O)NC2CCNCC2)cc1.Cl
InChIInChI=1S/C14H23N3O2S.ClH/c1-17(2)11-12-3-5-14(6-4-12)20(18,19)16-13-7-9-15-10-8-13;/h3-6,13,15-16H,7-11H2,1-2H3;1H
InChIKeyFSZCBYDKVDZRIW-UHFFFAOYSA-N
XLogP1.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.89
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-4-yl-4-propylbenzenesulfonamide
CID 43603347
1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
CID 120998885
N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120706275
4-(dimethylsulfamoylamino)-N-piperidin-4-ylbenzenesulfonamide
CID 122571957
4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide
CID 43603241
4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120875073
4-cyclohexyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960370
4-(2-ethylsulfonylethoxy)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960520
N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
CID 19681069
4-bromo-3-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960505
1-N-cyclopropyl-4-N,4-N-bis[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide
CID 1176403
N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
CID 60822263

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-[(dimethylamino)methyl]-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (CID 120874458) is 4-[(dimethylamino)methyl]-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is CN(C)Cc1ccc(S(=O)(=O)NC2CCNCC2)cc1.Cl.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The InChIKey is FSZCBYDKVDZRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S.ClH/c1-17(2)11-12-3-5-14(6-4-12)20(18,19)16-13-7-9-15-10-8-13;/h3-6,13,15-16H,7-11H2,1-2H3;1H.
What are the key properties of 4-[(dimethylamino)methyl]-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
4-[(dimethylamino)methyl]-N-piperidin-4-ylbenzenesulfonamide;hydrochloride has a molecular weight of 333.89 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120874458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).