4-methoxy-3,5-dimethyl-N-[[(6S)-1,4-oxazepan-6-yl]methyl]benzenesulfonamide

C15H24N2O4S — CID 95868947

IUPAC4-methoxy-3,5-dimethyl-N-[[(6S)-1,4-oxazepan-6-yl]methyl]benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NC[C@@H]2CNCCOC2)cc1C
InChIInChI=1S/C15H24N2O4S/c1-11-6-14(7-12(2)15(11)20-3)22(18,19)17-9-13-8-16-4-5-21-10-13/h6-7,13,16-17H,4-5,8-10H2,1-3H3/t13-/m0/s1
InChIKeyXFSUCOUHKYAXJW-ZDUSSCGKSA-N
MW328.43 g/mol
LogP0.83
Rot. Bonds5

About 4-methoxy-3,5-dimethyl-N-[[(6S)-1,4-oxazepan-6-yl]methyl]benzenesulfonamide

4-methoxy-3,5-dimethyl-N-[[(6S)-1,4-oxazepan-6-yl]methyl]benzenesulfonamide (PubChem CID 95868947) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethyl-N-[[(6S)-1,4-oxazepan-6-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3,5-dimethyl-N-[[(6S)-1,4-oxazepan-6-yl]methyl]benzenesulfonamide
PubChem CID95868947
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name4-methoxy-3,5-dimethyl-N-[[(6S)-1,4-oxazepan-6-yl]methyl]benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NC[C@@H]2CNCCOC2)cc1C
InChIInChI=1S/C15H24N2O4S/c1-11-6-14(7-12(2)15(11)20-3)22(18,19)17-9-13-8-16-4-5-21-10-13/h6-7,13,16-17H,4-5,8-10H2,1-3H3/t13-/m0/s1
InChIKeyXFSUCOUHKYAXJW-ZDUSSCGKSA-N
XLogP0.83
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-3,5-dimethyl-N-[[(6S)-1,4-oxazepan-6-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

4-methoxy-3,5-dimethyl-N-(1,4-oxazepan-6-ylmethyl)benzenesulfonamide
CID 56882465
3,5-dimethyl-N-(1,4-oxazepan-6-ylmethyl)benzenesulfonamide
CID 56915452
3-chloro-4-methyl-N-[[(6S)-1,4-oxazepan-6-yl]methyl]benzenesulfonamide
CID 95712702
3-chloro-4-methyl-N-(1,4-oxazepan-6-ylmethyl)benzenesulfonamide;hydrochloride
CID 154886414
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzenesulfonamide
CID 16887649
3-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 81259552
4-methoxy-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110736435
4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563364
3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203510
4-methoxy-3,5-dimethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725107
4-ethoxy-3-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 95126815
3-fluoro-4-methoxy-5-nitro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120707908

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethyl-N-[[(6S)-1,4-oxazepan-6-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3,5-dimethyl-N-[[(6S)-1,4-oxazepan-6-yl]methyl]benzenesulfonamide (CID 95868947) is 4-methoxy-3,5-dimethyl-N-[[(6S)-1,4-oxazepan-6-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3,5-dimethyl-N-[[(6S)-1,4-oxazepan-6-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3,5-dimethyl-N-[[(6S)-1,4-oxazepan-6-yl]methyl]benzenesulfonamide is COc1c(C)cc(S(=O)(=O)NC[C@@H]2CNCCOC2)cc1C.
What is the InChIKey of 4-methoxy-3,5-dimethyl-N-[[(6S)-1,4-oxazepan-6-yl]methyl]benzenesulfonamide?
The InChIKey is XFSUCOUHKYAXJW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-11-6-14(7-12(2)15(11)20-3)22(18,19)17-9-13-8-16-4-5-21-10-13/h6-7,13,16-17H,4-5,8-10H2,1-3H3/t13-/m0/s1.
What are the key properties of 4-methoxy-3,5-dimethyl-N-[[(6S)-1,4-oxazepan-6-yl]methyl]benzenesulfonamide?
4-methoxy-3,5-dimethyl-N-[[(6S)-1,4-oxazepan-6-yl]methyl]benzenesulfonamide has a molecular weight of 328.43 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethyl-N-[[(6S)-1,4-oxazepan-6-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 95868947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).