N-cyclohexyl-N-ethyl-3,4-dimethoxybenzenesulfonamide

C16H25NO4S — CID 5191986

IUPACN-cyclohexyl-N-ethyl-3,4-dimethoxybenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H25NO4S/c1-4-17(13-8-6-5-7-9-13)22(18,19)14-10-11-15(20-2)16(12-14)21-3/h10-13H,4-9H2,1-3H3
InChIKeyFFHOZAXLIFAWOS-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.05
Rot. Bonds6

About N-cyclohexyl-N-ethyl-3,4-dimethoxybenzenesulfonamide

N-cyclohexyl-N-ethyl-3,4-dimethoxybenzenesulfonamide (PubChem CID 5191986) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-3,4-dimethoxybenzenesulfonamide
PubChem CID5191986
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC NameN-cyclohexyl-N-ethyl-3,4-dimethoxybenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H25NO4S/c1-4-17(13-8-6-5-7-9-13)22(18,19)14-10-11-15(20-2)16(12-14)21-3/h10-13H,4-9H2,1-3H3
InChIKeyFFHOZAXLIFAWOS-UHFFFAOYSA-N
XLogP3.05
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-ethyl-3,4-dimethoxybenzenesulfonamide (CID 5191986) is N-cyclohexyl-N-ethyl-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-3,4-dimethoxybenzenesulfonamide is CCN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-cyclohexyl-N-ethyl-3,4-dimethoxybenzenesulfonamide?
The InChIKey is FFHOZAXLIFAWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-4-17(13-8-6-5-7-9-13)22(18,19)14-10-11-15(20-2)16(12-14)21-3/h10-13H,4-9H2,1-3H3.
What are the key properties of N-cyclohexyl-N-ethyl-3,4-dimethoxybenzenesulfonamide?
N-cyclohexyl-N-ethyl-3,4-dimethoxybenzenesulfonamide has a molecular weight of 327.45 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 5191986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).