2,5-dimethoxy-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide

C16H25NO5S — CID 71686942

IUPAC2,5-dimethoxy-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)CC2(C)CCOCC2)c1
InChIInChI=1S/C16H25NO5S/c1-16(7-9-22-10-8-16)12-17(2)23(18,19)15-11-13(20-3)5-6-14(15)21-4/h5-6,11H,7-10,12H2,1-4H3
InChIKeyKULZTENDXVUDRS-UHFFFAOYSA-N
MW343.44 g/mol
LogP2.14
Rot. Bonds6

About 2,5-dimethoxy-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide

2,5-dimethoxy-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide (PubChem CID 71686942) has the molecular formula C16H25NO5S and a molecular weight of 343.44 g/mol. Its IUPAC name is 2,5-dimethoxy-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
PubChem CID71686942
Molecular FormulaC16H25NO5S
Molecular Weight343.44 g/mol
Exact Mass343.15
IUPAC Name2,5-dimethoxy-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)CC2(C)CCOCC2)c1
InChIInChI=1S/C16H25NO5S/c1-16(7-9-22-10-8-16)12-17(2)23(18,19)15-11-13(20-3)5-6-14(15)21-4/h5-6,11H,7-10,12H2,1-4H3
InChIKeyKULZTENDXVUDRS-UHFFFAOYSA-N
XLogP2.14
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethoxy-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 1022064
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 32945132
N-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethoxy-N-methylbenzenesulfonamide
CID 32941824
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 27001573
2,5-dimethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27450418
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 45371745
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 838669
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 2219300
N-[(1-hydroxycyclopentyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 114951772
2,5-dimethoxy-N-methyl-N-(3-phenoxypropyl)benzenesulfonamide
CID 55681499
N-[2-(azepan-1-yl)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzenesulfonamide
CID 1259921
2,5-dimethoxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1259918

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide (CID 71686942) is 2,5-dimethoxy-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)N(C)CC2(C)CCOCC2)c1.
What is the InChIKey of 2,5-dimethoxy-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The InChIKey is KULZTENDXVUDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO5S/c1-16(7-9-22-10-8-16)12-17(2)23(18,19)15-11-13(20-3)5-6-14(15)21-4/h5-6,11H,7-10,12H2,1-4H3.
What are the key properties of 2,5-dimethoxy-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
2,5-dimethoxy-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide has a molecular weight of 343.44 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 71686942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).