N-cyclohexyl-N-ethyl-4-methoxy-3-methylbenzenesulfonamide

C16H25NO3S — CID 849958

IUPACN-cyclohexyl-N-ethyl-4-methoxy-3-methylbenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C16H25NO3S/c1-4-17(14-8-6-5-7-9-14)21(18,19)15-10-11-16(20-3)13(2)12-15/h10-12,14H,4-9H2,1-3H3
InChIKeySQMSFMCLTUGNCL-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.35
Rot. Bonds5

About N-cyclohexyl-N-ethyl-4-methoxy-3-methylbenzenesulfonamide

N-cyclohexyl-N-ethyl-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 849958) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-4-methoxy-3-methylbenzenesulfonamide
PubChem CID849958
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN-cyclohexyl-N-ethyl-4-methoxy-3-methylbenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C16H25NO3S/c1-4-17(14-8-6-5-7-9-14)21(18,19)15-10-11-16(20-3)13(2)12-15/h10-12,14H,4-9H2,1-3H3
InChIKeySQMSFMCLTUGNCL-UHFFFAOYSA-N
XLogP3.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-ethyl-4-methoxy-3-methylbenzenesulfonamide (CID 849958) is N-cyclohexyl-N-ethyl-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-4-methoxy-3-methylbenzenesulfonamide is CCN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of N-cyclohexyl-N-ethyl-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is SQMSFMCLTUGNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-4-17(14-8-6-5-7-9-14)21(18,19)15-10-11-16(20-3)13(2)12-15/h10-12,14H,4-9H2,1-3H3.
What are the key properties of N-cyclohexyl-N-ethyl-4-methoxy-3-methylbenzenesulfonamide?
N-cyclohexyl-N-ethyl-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 849958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).