8-(4-sulfamoylphenyl)octanamide

C14H22N2O3S — CID 67422603

IUPAC8-(4-sulfamoylphenyl)octanamide
SMILESNC(=O)CCCCCCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c15-14(17)7-5-3-1-2-4-6-12-8-10-13(11-9-12)20(16,18)19/h8-11H,1-7H2,(H2,15,17)(H2,16,18,19)
InChIKeyPTDPSZGLMLUGQV-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.70
Rot. Bonds9

About 8-(4-sulfamoylphenyl)octanamide

8-(4-sulfamoylphenyl)octanamide (PubChem CID 67422603) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 8-(4-sulfamoylphenyl)octanamide.

Molecular Properties

Compound Name8-(4-sulfamoylphenyl)octanamide
PubChem CID67422603
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name8-(4-sulfamoylphenyl)octanamide
SMILESNC(=O)CCCCCCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c15-14(17)7-5-3-1-2-4-6-12-8-10-13(11-9-12)20(16,18)19/h8-11H,1-7H2,(H2,15,17)(H2,16,18,19)
InChIKeyPTDPSZGLMLUGQV-UHFFFAOYSA-N
XLogP1.70
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-sulfamoylphenyl)butanamide
CID 145476026
18-[4-(18-amino-18-oxooctadecyl)phenyl]octadecanamide
CID 66765992
4-nonylbenzenesulfonamide
CID 19845394
4-(4-methylsulfonylphenyl)butanamide
CID 66848825
11-(4-fluorophenyl)undecanamide
CID 144640590
5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 118398571
14-(4-sulfophenyl)tetradecanoic acid
CID 90747531
6-[4-(trifluoromethyl)phenyl]hexanamide
CID 66848410
5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 110297842
28-[3-(28-amino-28-oxooctacosyl)phenyl]octacosanamide
CID 139913046
4-(diaminomethylideneamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 118707446
1-(4-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 118398414

Frequently Asked Questions

What is the IUPAC name of 8-(4-sulfamoylphenyl)octanamide?
The IUPAC name of 8-(4-sulfamoylphenyl)octanamide (CID 67422603) is 8-(4-sulfamoylphenyl)octanamide.
What is the SMILES notation for 8-(4-sulfamoylphenyl)octanamide?
The canonical SMILES for 8-(4-sulfamoylphenyl)octanamide is NC(=O)CCCCCCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 8-(4-sulfamoylphenyl)octanamide?
The InChIKey is PTDPSZGLMLUGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c15-14(17)7-5-3-1-2-4-6-12-8-10-13(11-9-12)20(16,18)19/h8-11H,1-7H2,(H2,15,17)(H2,16,18,19).
What are the key properties of 8-(4-sulfamoylphenyl)octanamide?
8-(4-sulfamoylphenyl)octanamide has a molecular weight of 298.41 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-sulfamoylphenyl)octanamide is sourced from PubChem (CID 67422603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).