N-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide

C14H22N2O2S — CID 107173095

IUPACN-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2CCCNCC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-12-5-7-14(8-6-12)19(17,18)16(2)13-4-3-10-15-11-9-13/h5-8,13,15H,3-4,9-11H2,1-2H3
InChIKeyNGCAYKNTPDKNQL-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.76
Rot. Bonds3

About N-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide

N-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide (PubChem CID 107173095) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide
PubChem CID107173095
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2CCCNCC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-12-5-7-14(8-6-12)19(17,18)16(2)13-4-3-10-15-11-9-13/h5-8,13,15H,3-4,9-11H2,1-2H3
InChIKeyNGCAYKNTPDKNQL-UHFFFAOYSA-N
XLogP1.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606910
N-(azepan-4-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 107173129
4-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606986
N-(azepan-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide
CID 107173016
N-(azepan-4-yl)-3-chloro-4-cyano-N-methylbenzenesulfonamide
CID 107173032
N-(azepan-4-yl)-2,6-difluoro-N-methylbenzenesulfonamide
CID 107173137
4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide
CID 60806542
N,3-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119966044
4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650716
methyl 4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 119965724
N-(azepan-4-yl)-N,2,5-trimethylthiophene-3-sulfonamide
CID 107173135

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide (CID 107173095) is N-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C2CCCNCC2)cc1.
What is the InChIKey of N-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is NGCAYKNTPDKNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12-5-7-14(8-6-12)19(17,18)16(2)13-4-3-10-15-11-9-13/h5-8,13,15H,3-4,9-11H2,1-2H3.
What are the key properties of N-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide?
N-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 107173095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).