2-methoxy-5-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide

C15H24N2O3S — CID 62047418

IUPAC2-methoxy-5-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC(C)C1CCCNC1
InChIInChI=1S/C15H24N2O3S/c1-11-6-7-14(20-3)15(9-11)21(18,19)17-12(2)13-5-4-8-16-10-13/h6-7,9,12-13,16-17H,4-5,8,10H2,1-3H3
InChIKeyNLPMLRXNUJHTJV-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.67
Rot. Bonds5

About 2-methoxy-5-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide

2-methoxy-5-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide (PubChem CID 62047418) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide
PubChem CID62047418
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-methoxy-5-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC(C)C1CCCNC1
InChIInChI=1S/C15H24N2O3S/c1-11-6-7-14(20-3)15(9-11)21(18,19)17-12(2)13-5-4-8-16-10-13/h6-7,9,12-13,16-17H,4-5,8,10H2,1-3H3
InChIKeyNLPMLRXNUJHTJV-UHFFFAOYSA-N
XLogP1.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 119970253
3-methyl-N-(1-piperidin-3-ylethyl)-4-propan-2-yloxybenzenesulfonamide
CID 119970212
N-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 106737938
5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970327
5-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 120894013
4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 103828937
N-(1-piperidin-3-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 119970410
(2R)-N-cyclopropyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7393559
2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62045365
2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 115752267
6-methyl-N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide
CID 120874806
4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62046207

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide (CID 62047418) is 2-methoxy-5-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NC(C)C1CCCNC1.
What is the InChIKey of 2-methoxy-5-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
The InChIKey is NLPMLRXNUJHTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-6-7-14(20-3)15(9-11)21(18,19)17-12(2)13-5-4-8-16-10-13/h6-7,9,12-13,16-17H,4-5,8,10H2,1-3H3.
What are the key properties of 2-methoxy-5-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
2-methoxy-5-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 62047418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).