4-methoxy-3-methyl-N-(2-piperidin-1-ylpropyl)benzenesulfonamide

C16H26N2O3S — CID 112502382

IUPAC4-methoxy-3-methyl-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)N2CCCCC2)cc1C
InChIInChI=1S/C16H26N2O3S/c1-13-11-15(7-8-16(13)21-3)22(19,20)17-12-14(2)18-9-5-4-6-10-18/h7-8,11,14,17H,4-6,9-10,12H2,1-3H3
InChIKeyVGJQKJULVBAEMJ-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.16
Rot. Bonds6

About 4-methoxy-3-methyl-N-(2-piperidin-1-ylpropyl)benzenesulfonamide

4-methoxy-3-methyl-N-(2-piperidin-1-ylpropyl)benzenesulfonamide (PubChem CID 112502382) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(2-piperidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
PubChem CID112502382
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name4-methoxy-3-methyl-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)N2CCCCC2)cc1C
InChIInChI=1S/C16H26N2O3S/c1-13-11-15(7-8-16(13)21-3)22(19,20)17-12-14(2)18-9-5-4-6-10-18/h7-8,11,14,17H,4-6,9-10,12H2,1-3H3
InChIKeyVGJQKJULVBAEMJ-UHFFFAOYSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide
CID 93157622
3-bromo-4-methoxy-N-(2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 112727228
3,4-dimethoxy-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402917
N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbenzenesulfonamide
CID 65034163
N-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide
CID 115613367
N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide
CID 112502420
3-bromo-4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 106545497
3,4-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42960746
N-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide
CID 115301370
4-[2-(azepan-1-yl)-2-oxoethoxy]-3-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 2221977
4-methoxy-3-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126227
4-methoxy-3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778661

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(2-piperidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-(2-piperidin-1-ylpropyl)benzenesulfonamide (CID 112502382) is 4-methoxy-3-methyl-N-(2-piperidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-(2-piperidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-(2-piperidin-1-ylpropyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCC(C)N2CCCCC2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-(2-piperidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is VGJQKJULVBAEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-13-11-15(7-8-16(13)21-3)22(19,20)17-12-14(2)18-9-5-4-6-10-18/h7-8,11,14,17H,4-6,9-10,12H2,1-3H3.
What are the key properties of 4-methoxy-3-methyl-N-(2-piperidin-1-ylpropyl)benzenesulfonamide?
4-methoxy-3-methyl-N-(2-piperidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-(2-piperidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 112502382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).