4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride

C13H21ClN2O3S — CID 119968609

IUPAC4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NCC2CCCNC2)cc1.Cl
InChIInChI=1S/C13H20N2O3S.ClH/c1-18-12-4-6-13(7-5-12)19(16,17)15-10-11-3-2-8-14-9-11;/h4-7,11,14-15H,2-3,8-10H2,1H3;1H
InChIKeyUIMJMXJWCHTUPN-UHFFFAOYSA-N
MW320.84 g/mol
LogP1.39
Rot. Bonds5

About 4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride

4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride (PubChem CID 119968609) has the molecular formula C13H21ClN2O3S and a molecular weight of 320.84 g/mol. Its IUPAC name is 4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
PubChem CID119968609
Molecular FormulaC13H21ClN2O3S
Molecular Weight320.84 g/mol
Exact Mass320.10
IUPAC Name4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NCC2CCCNC2)cc1.Cl
InChIInChI=1S/C13H20N2O3S.ClH/c1-18-12-4-6-13(7-5-12)19(16,17)15-10-11-3-2-8-14-9-11;/h4-7,11,14-15H,2-3,8-10H2,1H3;1H
InChIKeyUIMJMXJWCHTUPN-UHFFFAOYSA-N
XLogP1.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563364
4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968401
4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968466
4-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979446
4-methoxy-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968409
N-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide
CID 61070409
4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964408
4-(3-methylbutyl)-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968622
4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977148
4-propoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563620
3-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 81259552
4-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018605

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride (CID 119968609) is 4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride is COc1ccc(S(=O)(=O)NCC2CCCNC2)cc1.Cl.
What is the InChIKey of 4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
The InChIKey is UIMJMXJWCHTUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S.ClH/c1-18-12-4-6-13(7-5-12)19(16,17)15-10-11-3-2-8-14-9-11;/h4-7,11,14-15H,2-3,8-10H2,1H3;1H.
What are the key properties of 4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride has a molecular weight of 320.84 g/mol, XLogP of 1.39, 5 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-ylmethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119968609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).