N,3-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide

C14H21NO3S — CID 91905212

IUPACN,3-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)CC2CCOCC2)c1
InChIInChI=1S/C14H21NO3S/c1-12-4-3-5-14(10-12)19(16,17)15(2)11-13-6-8-18-9-7-13/h3-5,10,13H,6-9,11H2,1-2H3
InChIKeyRNMMKNOTBLOTRS-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.04
Rot. Bonds4

About N,3-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide

N,3-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide (PubChem CID 91905212) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N,3-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide
PubChem CID91905212
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN,3-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)CC2CCOCC2)c1
InChIInChI=1S/C14H21NO3S/c1-12-4-3-5-14(10-12)19(16,17)15(2)11-13-6-8-18-9-7-13/h3-5,10,13H,6-9,11H2,1-2H3
InChIKeyRNMMKNOTBLOTRS-UHFFFAOYSA-N
XLogP2.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.04
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-(oxan-4-ylmethyl)benzenesulfonamide?
The IUPAC name of N,3-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide (CID 91905212) is N,3-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N,3-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for N,3-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide is Cc1cccc(S(=O)(=O)N(C)CC2CCOCC2)c1.
What is the InChIKey of N,3-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The InChIKey is RNMMKNOTBLOTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-12-4-3-5-14(10-12)19(16,17)15(2)11-13-6-8-18-9-7-13/h3-5,10,13H,6-9,11H2,1-2H3.
What are the key properties of N,3-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
N,3-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.04, 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-(oxan-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 91905212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).