N-(2,2-dimethyloxan-4-yl)-4-methylbenzenesulfonamide

C14H21NO3S — CID 650352

IUPACN-(2,2-dimethyloxan-4-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCOC(C)(C)C2)cc1
InChIInChI=1S/C14H21NO3S/c1-11-4-6-13(7-5-11)19(16,17)15-12-8-9-18-14(2,3)10-12/h4-7,12,15H,8-10H2,1-3H3
InChIKeyNERNADNMUHFLPB-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.23
Rot. Bonds3

About N-(2,2-dimethyloxan-4-yl)-4-methylbenzenesulfonamide

N-(2,2-dimethyloxan-4-yl)-4-methylbenzenesulfonamide (PubChem CID 650352) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-4-methylbenzenesulfonamide
PubChem CID650352
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-(2,2-dimethyloxan-4-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCOC(C)(C)C2)cc1
InChIInChI=1S/C14H21NO3S/c1-11-4-6-13(7-5-11)19(16,17)15-12-8-9-18-14(2,3)10-12/h4-7,12,15H,8-10H2,1-3H3
InChIKeyNERNADNMUHFLPB-UHFFFAOYSA-N
XLogP2.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-4-methylbenzenesulfonamide (CID 650352) is N-(2,2-dimethyloxan-4-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCOC(C)(C)C2)cc1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-4-methylbenzenesulfonamide?
The InChIKey is NERNADNMUHFLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11-4-6-13(7-5-11)19(16,17)15-12-8-9-18-14(2,3)10-12/h4-7,12,15H,8-10H2,1-3H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-4-methylbenzenesulfonamide?
N-(2,2-dimethyloxan-4-yl)-4-methylbenzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 650352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).