N-cyclooctyl-4-propylbenzenesulfonamide

C17H27NO2S — CID 19681104

IUPACN-cyclooctyl-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C17H27NO2S/c1-2-8-15-11-13-17(14-12-15)21(19,20)18-16-9-6-4-3-5-7-10-16/h11-14,16,18H,2-10H2,1H3
InChIKeyHJHXDRVHCLLIQA-UHFFFAOYSA-N
MW309.48 g/mol
LogP4.03
Rot. Bonds5

About N-cyclooctyl-4-propylbenzenesulfonamide

N-cyclooctyl-4-propylbenzenesulfonamide (PubChem CID 19681104) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is N-cyclooctyl-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclooctyl-4-propylbenzenesulfonamide
PubChem CID19681104
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC NameN-cyclooctyl-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C17H27NO2S/c1-2-8-15-11-13-17(14-12-15)21(19,20)18-16-9-6-4-3-5-7-10-16/h11-14,16,18H,2-10H2,1H3
InChIKeyHJHXDRVHCLLIQA-UHFFFAOYSA-N
XLogP4.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715786
N-piperidin-4-yl-4-propylbenzenesulfonamide
CID 43603347
4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide
CID 16643216
N-cyclooctyl-4-(ethylamino)benzenesulfonamide
CID 62150101
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
3-[4-(cyclohexylsulfamoyl)phenyl]propanoate
CID 7330268
4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide
CID 1429121
N-(2-aminocyclopentyl)-4-propylbenzenesulfonamide
CID 63251903
N-butyl-3-[4-(cyclopentylsulfamoyl)phenyl]-N-methylpropanamide
CID 110355911
N-iodo-4-propylbenzenesulfonamide
CID 143564822
N-cycloheptyl-4-(methylamino)benzenesulfonamide
CID 15049673
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-4-propylbenzenesulfonamide?
The IUPAC name of N-cyclooctyl-4-propylbenzenesulfonamide (CID 19681104) is N-cyclooctyl-4-propylbenzenesulfonamide.
What is the SMILES notation for N-cyclooctyl-4-propylbenzenesulfonamide?
The canonical SMILES for N-cyclooctyl-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1.
What is the InChIKey of N-cyclooctyl-4-propylbenzenesulfonamide?
The InChIKey is HJHXDRVHCLLIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-2-8-15-11-13-17(14-12-15)21(19,20)18-16-9-6-4-3-5-7-10-16/h11-14,16,18H,2-10H2,1H3.
What are the key properties of N-cyclooctyl-4-propylbenzenesulfonamide?
N-cyclooctyl-4-propylbenzenesulfonamide has a molecular weight of 309.48 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-4-propylbenzenesulfonamide is sourced from PubChem (CID 19681104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).