4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride

C12H19ClN2O3S — CID 119964408

IUPAC4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NC2CCCNC2)cc1.Cl
InChIInChI=1S/C12H18N2O3S.ClH/c1-17-11-4-6-12(7-5-11)18(15,16)14-10-3-2-8-13-9-10;/h4-7,10,13-14H,2-3,8-9H2,1H3;1H
InChIKeyZDQPBODPJSXOEN-UHFFFAOYSA-N
MW306.81 g/mol
LogP1.15
Rot. Bonds4

About 4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride

4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride (PubChem CID 119964408) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.81 g/mol. Its IUPAC name is 4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
PubChem CID119964408
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.81 g/mol
Exact Mass306.08
IUPAC Name4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NC2CCCNC2)cc1.Cl
InChIInChI=1S/C12H18N2O3S.ClH/c1-17-11-4-6-12(7-5-11)18(15,16)14-10-3-2-8-13-9-10;/h4-7,10,13-14H,2-3,8-9H2,1H3;1H
InChIKeyZDQPBODPJSXOEN-UHFFFAOYSA-N
XLogP1.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide
CID 63321022
4-pentoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964352
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
4-(2,2-difluoroethoxy)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 120707154
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723595
2-bromo-5-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 124625915
3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982668
N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120716651
N-piperidin-3-ylnaphthalene-2-sulfonamide
CID 63321555
4-(2-methylpropyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964495
4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968609
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 104645700

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride (CID 119964408) is 4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride is COc1ccc(S(=O)(=O)NC2CCCNC2)cc1.Cl.
What is the InChIKey of 4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The InChIKey is ZDQPBODPJSXOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S.ClH/c1-17-11-4-6-12(7-5-11)18(15,16)14-10-3-2-8-13-9-10;/h4-7,10,13-14H,2-3,8-9H2,1H3;1H.
What are the key properties of 4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride has a molecular weight of 306.81 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119964408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).