4-methoxy-2-methyl-N-piperidin-3-yl-5-propan-2-ylbenzenesulfonamide;hydrochloride

C16H27ClN2O3S — CID 120707170

IUPAC4-methoxy-2-methyl-N-piperidin-3-yl-5-propan-2-ylbenzenesulfonamide;hydrochloride
SMILESCOc1cc(C)c(S(=O)(=O)NC2CCCNC2)cc1C(C)C.Cl
InChIInChI=1S/C16H26N2O3S.ClH/c1-11(2)14-9-16(12(3)8-15(14)21-4)22(19,20)18-13-6-5-7-17-10-13;/h8-9,11,13,17-18H,5-7,10H2,1-4H3;1H
InChIKeyTXQDASMSZCGQLD-UHFFFAOYSA-N
MW362.92 g/mol
LogP2.58
Rot. Bonds5

About 4-methoxy-2-methyl-N-piperidin-3-yl-5-propan-2-ylbenzenesulfonamide;hydrochloride

4-methoxy-2-methyl-N-piperidin-3-yl-5-propan-2-ylbenzenesulfonamide;hydrochloride (PubChem CID 120707170) has the molecular formula C16H27ClN2O3S and a molecular weight of 362.92 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-piperidin-3-yl-5-propan-2-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-piperidin-3-yl-5-propan-2-ylbenzenesulfonamide;hydrochloride
PubChem CID120707170
Molecular FormulaC16H27ClN2O3S
Molecular Weight362.92 g/mol
Exact Mass362.14
IUPAC Name4-methoxy-2-methyl-N-piperidin-3-yl-5-propan-2-ylbenzenesulfonamide;hydrochloride
SMILESCOc1cc(C)c(S(=O)(=O)NC2CCCNC2)cc1C(C)C.Cl
InChIInChI=1S/C16H26N2O3S.ClH/c1-11(2)14-9-16(12(3)8-15(14)21-4)22(19,20)18-13-6-5-7-17-10-13;/h8-9,11,13,17-18H,5-7,10H2,1-4H3;1H
InChIKeyTXQDASMSZCGQLD-UHFFFAOYSA-N
XLogP2.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.92
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-methyl-5-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120707629
4-methoxy-2-methyl-N-(piperidin-3-ylmethyl)-5-propan-2-ylbenzenesulfonamide
CID 120707882
5-chloro-4-methoxy-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120707594
4-methoxy-2-methyl-N-(2-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide
CID 120713778
2,5-dichloro-4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964367
4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723768
2-bromo-4,5-dimethoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982732
5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716768
N-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 133200353
N-cyclohexyl-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 47314932
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120711306
2,4-difluoro-5-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 119964177

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-piperidin-3-yl-5-propan-2-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-methoxy-2-methyl-N-piperidin-3-yl-5-propan-2-ylbenzenesulfonamide;hydrochloride (CID 120707170) is 4-methoxy-2-methyl-N-piperidin-3-yl-5-propan-2-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-methoxy-2-methyl-N-piperidin-3-yl-5-propan-2-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-methoxy-2-methyl-N-piperidin-3-yl-5-propan-2-ylbenzenesulfonamide;hydrochloride is COc1cc(C)c(S(=O)(=O)NC2CCCNC2)cc1C(C)C.Cl.
What is the InChIKey of 4-methoxy-2-methyl-N-piperidin-3-yl-5-propan-2-ylbenzenesulfonamide;hydrochloride?
The InChIKey is TXQDASMSZCGQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S.ClH/c1-11(2)14-9-16(12(3)8-15(14)21-4)22(19,20)18-13-6-5-7-17-10-13;/h8-9,11,13,17-18H,5-7,10H2,1-4H3;1H.
What are the key properties of 4-methoxy-2-methyl-N-piperidin-3-yl-5-propan-2-ylbenzenesulfonamide;hydrochloride?
4-methoxy-2-methyl-N-piperidin-3-yl-5-propan-2-ylbenzenesulfonamide;hydrochloride has a molecular weight of 362.92 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-piperidin-3-yl-5-propan-2-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120707170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).