N-(azepan-4-yl)-4-ethoxy-N-methylbenzenesulfonamide

C15H24N2O3S — CID 107173129

IUPACN-(azepan-4-yl)-4-ethoxy-N-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)C2CCCNCC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-20-14-6-8-15(9-7-14)21(18,19)17(2)13-5-4-11-16-12-10-13/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyZKWRHCYHHXJTOY-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.85
Rot. Bonds5

About N-(azepan-4-yl)-4-ethoxy-N-methylbenzenesulfonamide

N-(azepan-4-yl)-4-ethoxy-N-methylbenzenesulfonamide (PubChem CID 107173129) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(azepan-4-yl)-4-ethoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-4-ethoxy-N-methylbenzenesulfonamide
PubChem CID107173129
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(azepan-4-yl)-4-ethoxy-N-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)C2CCCNCC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-20-14-6-8-15(9-7-14)21(18,19)17(2)13-5-4-11-16-12-10-13/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyZKWRHCYHHXJTOY-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide
CID 107173095
4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299749
3-bromo-4-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 119965919
4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606910
4-(4-ethoxyphenyl)sulfonylpiperidine
CID 18538560
4-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606986
4-(4-ethoxyphenyl)sulfonylpiperidine;hydrochloride
CID 18538559
N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-sulfonamide
CID 107173116
N-cyclopentyl-4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788659
4-ethoxy-N-pyrrolidin-3-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 146065088
N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide
CID 119993786
N-cyclobutyl-6-ethoxy-N-methylpyridine-3-sulfonamide
CID 84599468

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-4-ethoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-(azepan-4-yl)-4-ethoxy-N-methylbenzenesulfonamide (CID 107173129) is N-(azepan-4-yl)-4-ethoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(azepan-4-yl)-4-ethoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-(azepan-4-yl)-4-ethoxy-N-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)N(C)C2CCCNCC2)cc1.
What is the InChIKey of N-(azepan-4-yl)-4-ethoxy-N-methylbenzenesulfonamide?
The InChIKey is ZKWRHCYHHXJTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-20-14-6-8-15(9-7-14)21(18,19)17(2)13-5-4-11-16-12-10-13/h6-9,13,16H,3-5,10-12H2,1-2H3.
What are the key properties of N-(azepan-4-yl)-4-ethoxy-N-methylbenzenesulfonamide?
N-(azepan-4-yl)-4-ethoxy-N-methylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-4-ethoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 107173129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).