2-methoxy-N-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide

C16H26N2O3S — CID 99967091

IUPAC2-methoxy-N-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)NC1CCN(C)CC1
InChIInChI=1S/C16H26N2O3S/c1-12(2)13-5-6-15(21-4)16(11-13)22(19,20)17-14-7-9-18(3)10-8-14/h5-6,11-12,14,17H,7-10H2,1-4H3
InChIKeyHHJWDDQFLUQQSF-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.19
Rot. Bonds5

About 2-methoxy-N-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide

2-methoxy-N-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide (PubChem CID 99967091) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-methoxy-N-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide
PubChem CID99967091
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name2-methoxy-N-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)NC1CCN(C)CC1
InChIInChI=1S/C16H26N2O3S/c1-12(2)13-5-6-15(21-4)16(11-13)22(19,20)17-14-7-9-18(3)10-8-14/h5-6,11-12,14,17H,7-10H2,1-4H3
InChIKeyHHJWDDQFLUQQSF-UHFFFAOYSA-N
XLogP2.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-methoxy-4-propan-2-ylbenzenesulfonamide
CID 110758409
N-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide
CID 18141546
2-methoxy-5-[(1-methylpiperidin-4-yl)sulfamoyl]-N-propan-2-ylbenzamide
CID 53283023
4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 110736336
5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 110757527
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 28560607
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
5-chloro-2-methoxy-N-(2-methyl-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzenesulfonamide
CID 91910841
3-(cyclopentylsulfamoyl)-4-methoxy-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 27833083
2,5-dimethoxy-N-(4-methylcyclohexyl)benzenesulfonamide
CID 17377849
5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide
CID 61467171
N-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 850026

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-methoxy-N-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide (CID 99967091) is 2-methoxy-N-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide is COc1ccc(C(C)C)cc1S(=O)(=O)NC1CCN(C)CC1.
What is the InChIKey of 2-methoxy-N-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide?
The InChIKey is HHJWDDQFLUQQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-12(2)13-5-6-15(21-4)16(11-13)22(19,20)17-14-7-9-18(3)10-8-14/h5-6,11-12,14,17H,7-10H2,1-4H3.
What are the key properties of 2-methoxy-N-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide?
2-methoxy-N-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 99967091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).