N-cyclohexyl-4-ethoxy-2,5-dimethylbenzenesulfonamide

C16H25NO3S — CID 934725

IUPACN-cyclohexyl-4-ethoxy-2,5-dimethylbenzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)NC2CCCCC2)cc1C
InChIInChI=1S/C16H25NO3S/c1-4-20-15-10-13(3)16(11-12(15)2)21(18,19)17-14-8-6-5-7-9-14/h10-11,14,17H,4-9H2,1-3H3
InChIKeyNLTZYYGJAAYHIK-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.31
Rot. Bonds5

About N-cyclohexyl-4-ethoxy-2,5-dimethylbenzenesulfonamide

N-cyclohexyl-4-ethoxy-2,5-dimethylbenzenesulfonamide (PubChem CID 934725) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-cyclohexyl-4-ethoxy-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-ethoxy-2,5-dimethylbenzenesulfonamide
PubChem CID934725
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN-cyclohexyl-4-ethoxy-2,5-dimethylbenzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)NC2CCCCC2)cc1C
InChIInChI=1S/C16H25NO3S/c1-4-20-15-10-13(3)16(11-12(15)2)21(18,19)17-14-8-6-5-7-9-14/h10-11,14,17H,4-9H2,1-3H3
InChIKeyNLTZYYGJAAYHIK-UHFFFAOYSA-N
XLogP3.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-ethoxy-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-ethoxy-2,5-dimethylbenzenesulfonamide (CID 934725) is N-cyclohexyl-4-ethoxy-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-ethoxy-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-ethoxy-2,5-dimethylbenzenesulfonamide is CCOc1cc(C)c(S(=O)(=O)NC2CCCCC2)cc1C.
What is the InChIKey of N-cyclohexyl-4-ethoxy-2,5-dimethylbenzenesulfonamide?
The InChIKey is NLTZYYGJAAYHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-4-20-15-10-13(3)16(11-12(15)2)21(18,19)17-14-8-6-5-7-9-14/h10-11,14,17H,4-9H2,1-3H3.
What are the key properties of N-cyclohexyl-4-ethoxy-2,5-dimethylbenzenesulfonamide?
N-cyclohexyl-4-ethoxy-2,5-dimethylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-ethoxy-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 934725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).