N-(azepan-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide

C16H26N2O2S — CID 107173016

IUPACN-(azepan-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)C2CCCNCC2)c(C)c1
InChIInChI=1S/C16H26N2O2S/c1-12-10-13(2)16(14(3)11-12)21(19,20)18(4)15-6-5-8-17-9-7-15/h10-11,15,17H,5-9H2,1-4H3
InChIKeyLMBMSONYXYSPET-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.37
Rot. Bonds3

About N-(azepan-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide

N-(azepan-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide (PubChem CID 107173016) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(azepan-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide
PubChem CID107173016
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(azepan-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)C2CCCNCC2)c(C)c1
InChIInChI=1S/C16H26N2O2S/c1-12-10-13(2)16(14(3)11-12)21(19,20)18(4)15-6-5-8-17-9-7-15/h10-11,15,17H,5-9H2,1-4H3
InChIKeyLMBMSONYXYSPET-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide
CID 107173095
N-(azepan-4-yl)-2,6-difluoro-N-methylbenzenesulfonamide
CID 107173137
N-(azepan-4-yl)-N,2,5-trimethylthiophene-3-sulfonamide
CID 107173135
N-cycloheptyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107326759
N-(1-ethylpiperidin-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide
CID 36649144
N-methyl-N-[1-(2,4,6-trimethylphenyl)ethyl]azepan-4-amine
CID 107172122
N-ethyl-2,4,6-trimethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299793
2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300552
N-(azepan-4-yl)-2,4-dibromo-N-methylbenzenesulfonamide
CID 107172943
N,1,3,5-tetramethyl-N-piperidin-4-ylpyrazole-4-sulfonamide;hydrochloride
CID 119966073
4-bromo-N,2,5-trimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965599
2,4,6-trichloro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63642660

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-(azepan-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide (CID 107173016) is N-(azepan-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-(azepan-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-(azepan-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N(C)C2CCCNCC2)c(C)c1.
What is the InChIKey of N-(azepan-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide?
The InChIKey is LMBMSONYXYSPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-12-10-13(2)16(14(3)11-12)21(19,20)18(4)15-6-5-8-17-9-7-15/h10-11,15,17H,5-9H2,1-4H3.
What are the key properties of N-(azepan-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide?
N-(azepan-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.37, 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,2,4,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 107173016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).