N-cyclohexyl-N-ethyl-5-methoxy-2,4-dimethylbenzenesulfonamide

C17H27NO3S — CID 849959

IUPACN-cyclohexyl-N-ethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1cc(OC)c(C)cc1C
InChIInChI=1S/C17H27NO3S/c1-5-18(15-9-7-6-8-10-15)22(19,20)17-12-16(21-4)13(2)11-14(17)3/h11-12,15H,5-10H2,1-4H3
InChIKeyJKCJYGLDWBKJDM-UHFFFAOYSA-N
MW325.47 g/mol
LogP3.66
Rot. Bonds5

About N-cyclohexyl-N-ethyl-5-methoxy-2,4-dimethylbenzenesulfonamide

N-cyclohexyl-N-ethyl-5-methoxy-2,4-dimethylbenzenesulfonamide (PubChem CID 849959) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-5-methoxy-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
PubChem CID849959
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC NameN-cyclohexyl-N-ethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1cc(OC)c(C)cc1C
InChIInChI=1S/C17H27NO3S/c1-5-18(15-9-7-6-8-10-15)22(19,20)17-12-16(21-4)13(2)11-14(17)3/h11-12,15H,5-10H2,1-4H3
InChIKeyJKCJYGLDWBKJDM-UHFFFAOYSA-N
XLogP3.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide
CID 975173
1-[(5-Methoxy-2,4-dimethylphenyl)sulfonyl]-4-piperidinecarboxamide
CID 756572
[(5-Methoxy-2,4-dimethylphenyl)sulfonyl]pyrrolidine
CID 850003
N-cyclohexyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 850062
N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 2284278
N-[1-(4-methoxy-2,3-dimethylphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 72725496
N-[1-(4-methoxy-3,5-dimethylphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 72725549
1-[(4'-Methoxy-4-biphenylyl)sulfonyl]pyrrolidine
CID 852203
5-methoxy-N-(2-methoxyethyl)-2,4-dimethylbenzenesulfonamide
CID 2137824
N-cyclohexyl-N-ethyl-4-methoxy-3-methylbenzenesulfonamide
CID 849958
N-cyclohexyl-N-ethyl-2-methoxy-5-methylbenzenesulfonamide
CID 2931464
1-(5-Ethoxy-2,4-dimethylphenyl)sulfonylpyrrolidine
CID 970153

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-5-methoxy-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-ethyl-5-methoxy-2,4-dimethylbenzenesulfonamide (CID 849959) is N-cyclohexyl-N-ethyl-5-methoxy-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-5-methoxy-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-5-methoxy-2,4-dimethylbenzenesulfonamide is CCN(C1CCCCC1)S(=O)(=O)c1cc(OC)c(C)cc1C.
What is the InChIKey of N-cyclohexyl-N-ethyl-5-methoxy-2,4-dimethylbenzenesulfonamide?
The InChIKey is JKCJYGLDWBKJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-5-18(15-9-7-6-8-10-15)22(19,20)17-12-16(21-4)13(2)11-14(17)3/h11-12,15H,5-10H2,1-4H3.
What are the key properties of N-cyclohexyl-N-ethyl-5-methoxy-2,4-dimethylbenzenesulfonamide?
N-cyclohexyl-N-ethyl-5-methoxy-2,4-dimethylbenzenesulfonamide has a molecular weight of 325.47 g/mol, XLogP of 3.66, 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-5-methoxy-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 849959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).