N,3-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide

C15H23NO3S — CID 71686953

IUPACN,3-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)CC2(C)CCOCC2)c1
InChIInChI=1S/C15H23NO3S/c1-13-5-4-6-14(11-13)20(17,18)16(3)12-15(2)7-9-19-10-8-15/h4-6,11H,7-10,12H2,1-3H3
InChIKeyMXROXMHFGXBECP-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.43
Rot. Bonds4

About N,3-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide

N,3-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide (PubChem CID 71686953) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N,3-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
PubChem CID71686953
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN,3-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)CC2(C)CCOCC2)c1
InChIInChI=1S/C15H23NO3S/c1-13-5-4-6-14(11-13)20(17,18)16(3)12-15(2)7-9-19-10-8-15/h4-6,11H,7-10,12H2,1-3H3
InChIKeyMXROXMHFGXBECP-UHFFFAOYSA-N
XLogP2.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The IUPAC name of N,3-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide (CID 71686953) is N,3-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N,3-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for N,3-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)N(C)CC2(C)CCOCC2)c1.
What is the InChIKey of N,3-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The InChIKey is MXROXMHFGXBECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-13-5-4-6-14(11-13)20(17,18)16(3)12-15(2)7-9-19-10-8-15/h4-6,11H,7-10,12H2,1-3H3.
What are the key properties of N,3-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
N,3-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 71686953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).