N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide

C16H26N2O2S — CID 28715786

IUPACN-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-2-17-13-14-9-11-16(12-10-14)21(19,20)18-15-7-5-3-4-6-8-15/h9-12,15,17-18H,2-8,13H2,1H3
InChIKeySTSVNWQJVAXPHY-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.80
Rot. Bonds6

About N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide

N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide (PubChem CID 28715786) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide
PubChem CID28715786
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-2-17-13-14-9-11-16(12-10-14)21(19,20)18-15-7-5-3-4-6-8-15/h9-12,15,17-18H,2-8,13H2,1H3
InChIKeySTSVNWQJVAXPHY-UHFFFAOYSA-N
XLogP2.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 63361233
N-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide
CID 114548187
N-cyclooctyl-4-(ethylamino)benzenesulfonamide
CID 62150101
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide
CID 16643216
3-[4-(cyclohexylsulfamoyl)phenyl]propanoate
CID 7330268
N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
CID 60822263
4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-N-cyclohexylbenzenesulfonamide
CID 70939913
N-cycloheptyl-4-(methylamino)benzenesulfonamide
CID 15049673
N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide
CID 119044383
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide?
The IUPAC name of N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide (CID 28715786) is N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide is CCNCc1ccc(S(=O)(=O)NC2CCCCCC2)cc1.
What is the InChIKey of N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide?
The InChIKey is STSVNWQJVAXPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-2-17-13-14-9-11-16(12-10-14)21(19,20)18-15-7-5-3-4-6-8-15/h9-12,15,17-18H,2-8,13H2,1H3.
What are the key properties of N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide?
N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 28715786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).