4-[4-(3,3-dimethylcyclopentyl)butoxy]benzenesulfonamide

C17H27NO3S — CID 158695134

IUPAC4-[4-(3,3-dimethylcyclopentyl)butoxy]benzenesulfonamide
SMILESCC1(C)CCC(CCCCOc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C17H27NO3S/c1-17(2)11-10-14(13-17)5-3-4-12-21-15-6-8-16(9-7-15)22(18,19)20/h6-9,14H,3-5,10-13H2,1-2H3,(H2,18,19,20)
InChIKeyLTFFLJUQZVXDAN-UHFFFAOYSA-N
MW325.47 g/mol
LogP3.71
Rot. Bonds7

About 4-[4-(3,3-dimethylcyclopentyl)butoxy]benzenesulfonamide

4-[4-(3,3-dimethylcyclopentyl)butoxy]benzenesulfonamide (PubChem CID 158695134) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is 4-[4-(3,3-dimethylcyclopentyl)butoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(3,3-dimethylcyclopentyl)butoxy]benzenesulfonamide
PubChem CID158695134
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC Name4-[4-(3,3-dimethylcyclopentyl)butoxy]benzenesulfonamide
SMILESCC1(C)CCC(CCCCOc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C17H27NO3S/c1-17(2)11-10-14(13-17)5-3-4-12-21-15-6-8-16(9-7-15)22(18,19)20/h6-9,14H,3-5,10-13H2,1-2H3,(H2,18,19,20)
InChIKeyLTFFLJUQZVXDAN-UHFFFAOYSA-N
XLogP3.71
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 21978067
CID 21978067
CID 2049187
CID 2049187
CID 3724005
CID 3724005
CID 19374444
CID 19374444
CID 93935
CID 93935
CID 43342475
CID 43342475
CID 118729475
CID 118729475
CID 514077
CID 514077
CID 43164525
CID 43164525
CID 43342482
CID 43342482
CID 23274642
CID 23274642
CID 12458766
CID 12458766

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,3-dimethylcyclopentyl)butoxy]benzenesulfonamide?
The IUPAC name of 4-[4-(3,3-dimethylcyclopentyl)butoxy]benzenesulfonamide (CID 158695134) is 4-[4-(3,3-dimethylcyclopentyl)butoxy]benzenesulfonamide.
What is the SMILES notation for 4-[4-(3,3-dimethylcyclopentyl)butoxy]benzenesulfonamide?
The canonical SMILES for 4-[4-(3,3-dimethylcyclopentyl)butoxy]benzenesulfonamide is CC1(C)CCC(CCCCOc2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of 4-[4-(3,3-dimethylcyclopentyl)butoxy]benzenesulfonamide?
The InChIKey is LTFFLJUQZVXDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-17(2)11-10-14(13-17)5-3-4-12-21-15-6-8-16(9-7-15)22(18,19)20/h6-9,14H,3-5,10-13H2,1-2H3,(H2,18,19,20).
What are the key properties of 4-[4-(3,3-dimethylcyclopentyl)butoxy]benzenesulfonamide?
4-[4-(3,3-dimethylcyclopentyl)butoxy]benzenesulfonamide has a molecular weight of 325.47 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,3-dimethylcyclopentyl)butoxy]benzenesulfonamide is sourced from PubChem (CID 158695134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).