N-cyclooctyl-4-(ethylamino)benzenesulfonamide

C16H26N2O2S — CID 62150101

IUPACN-cyclooctyl-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-2-17-14-10-12-16(13-11-14)21(19,20)18-15-8-6-4-3-5-7-9-15/h10-13,15,17-18H,2-9H2,1H3
InChIKeySKXIKRMPBUIGJI-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.51
Rot. Bonds5

About N-cyclooctyl-4-(ethylamino)benzenesulfonamide

N-cyclooctyl-4-(ethylamino)benzenesulfonamide (PubChem CID 62150101) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-cyclooctyl-4-(ethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclooctyl-4-(ethylamino)benzenesulfonamide
PubChem CID62150101
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-cyclooctyl-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-2-17-14-10-12-16(13-11-14)21(19,20)18-15-8-6-4-3-5-7-9-15/h10-13,15,17-18H,2-9H2,1H3
InChIKeySKXIKRMPBUIGJI-UHFFFAOYSA-N
XLogP3.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-4-(methylamino)benzenesulfonamide
CID 15049673
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
4-(ethylamino)-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 62360398
N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715786
4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-cyclohexylbenzenesulfonamide
CID 70939108
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide
CID 83035482
4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-N-cyclohexylbenzenesulfonamide
CID 70939913
N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide
CID 119044383
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
N-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62664839
methyl N-[4-(cyclohexylsulfamoyl)phenyl]carbamate
CID 6465161
1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 859646

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-4-(ethylamino)benzenesulfonamide?
The IUPAC name of N-cyclooctyl-4-(ethylamino)benzenesulfonamide (CID 62150101) is N-cyclooctyl-4-(ethylamino)benzenesulfonamide.
What is the SMILES notation for N-cyclooctyl-4-(ethylamino)benzenesulfonamide?
The canonical SMILES for N-cyclooctyl-4-(ethylamino)benzenesulfonamide is CCNc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1.
What is the InChIKey of N-cyclooctyl-4-(ethylamino)benzenesulfonamide?
The InChIKey is SKXIKRMPBUIGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-2-17-14-10-12-16(13-11-14)21(19,20)18-15-8-6-4-3-5-7-9-15/h10-13,15,17-18H,2-9H2,1H3.
What are the key properties of N-cyclooctyl-4-(ethylamino)benzenesulfonamide?
N-cyclooctyl-4-(ethylamino)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-4-(ethylamino)benzenesulfonamide is sourced from PubChem (CID 62150101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).