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

C15H23NO3S — CID 110875704

IUPAC2,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2(C)CCOCC2)c(C)c1
InChIInChI=1S/C15H23NO3S/c1-12-4-5-14(13(2)10-12)20(17,18)16-11-15(3)6-8-19-9-7-15/h4-5,10,16H,6-9,11H2,1-3H3
InChIKeyGJMKUMSLOUKPDE-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.40
Rot. Bonds4

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

2,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide (PubChem CID 110875704) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
PubChem CID110875704
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2(C)CCOCC2)c(C)c1
InChIInChI=1S/C15H23NO3S/c1-12-4-5-14(13(2)10-12)20(17,18)16-11-15(3)6-8-19-9-7-15/h4-5,10,16H,6-9,11H2,1-3H3
InChIKeyGJMKUMSLOUKPDE-UHFFFAOYSA-N
XLogP2.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzenesulfonamide
CID 90604731
5-cyano-2-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
CID 103743788
1-[[(2,4-dimethylphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312080
N-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 119958873
2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide
CID 103723870
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 27451515
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,4-dimethylbenzenesulfonamide
CID 42269391
2,4-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
CID 30530525
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 27450983
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2,4-dimethylbenzenesulfonamide
CID 112994205
2-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylbenzenesulfonamide
CID 107165035
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide
CID 110292799

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide (CID 110875704) is 2,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2(C)CCOCC2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The InChIKey is GJMKUMSLOUKPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-12-4-5-14(13(2)10-12)20(17,18)16-11-15(3)6-8-19-9-7-15/h4-5,10,16H,6-9,11H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
2,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110875704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).