6-[(4-ethoxyphenyl)sulfonylamino]hexanoic acid

C14H21NO5S — CID 43237660

IUPAC6-[(4-ethoxyphenyl)sulfonylamino]hexanoic acid
SMILESCCOc1ccc(S(=O)(=O)NCCCCCC(=O)O)cc1
InChIInChI=1S/C14H21NO5S/c1-2-20-12-7-9-13(10-8-12)21(18,19)15-11-5-3-4-6-14(16)17/h7-10,15H,2-6,11H2,1H3,(H,16,17)
InChIKeyBPZORCPUCNHQLS-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.01
Rot. Bonds10

About 6-[(4-ethoxyphenyl)sulfonylamino]hexanoic acid

6-[(4-ethoxyphenyl)sulfonylamino]hexanoic acid (PubChem CID 43237660) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is 6-[(4-ethoxyphenyl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name6-[(4-ethoxyphenyl)sulfonylamino]hexanoic acid
PubChem CID43237660
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Name6-[(4-ethoxyphenyl)sulfonylamino]hexanoic acid
SMILESCCOc1ccc(S(=O)(=O)NCCCCCC(=O)O)cc1
InChIInChI=1S/C14H21NO5S/c1-2-20-12-7-9-13(10-8-12)21(18,19)15-11-5-3-4-6-14(16)17/h7-10,15H,2-6,11H2,1H3,(H,16,17)
InChIKeyBPZORCPUCNHQLS-UHFFFAOYSA-N
XLogP2.01
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
CID 6460242
6-[(4-cyanophenyl)sulfonylamino]hexanoic acid
CID 28530885
6-[(4-ethoxyphenoxy)methylcarbamoylamino]hexanoic acid
CID 108890677
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
5-[[4-(4-carbamoylphenoxy)phenyl]sulfonylamino]pentanoic acid
CID 171726310
N-[3-(dimethylamino)propyl]-4-ethoxybenzenesulfonamide
CID 4790143
6-[(4-carbamoylphenyl)sulfonylamino]hexanoic acid
CID 43241522
3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide
CID 78843826
(2S)-2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119238344
N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 119408093

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethoxyphenyl)sulfonylamino]hexanoic acid?
The IUPAC name of 6-[(4-ethoxyphenyl)sulfonylamino]hexanoic acid (CID 43237660) is 6-[(4-ethoxyphenyl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 6-[(4-ethoxyphenyl)sulfonylamino]hexanoic acid?
The canonical SMILES for 6-[(4-ethoxyphenyl)sulfonylamino]hexanoic acid is CCOc1ccc(S(=O)(=O)NCCCCCC(=O)O)cc1.
What is the InChIKey of 6-[(4-ethoxyphenyl)sulfonylamino]hexanoic acid?
The InChIKey is BPZORCPUCNHQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-2-20-12-7-9-13(10-8-12)21(18,19)15-11-5-3-4-6-14(16)17/h7-10,15H,2-6,11H2,1H3,(H,16,17).
What are the key properties of 6-[(4-ethoxyphenyl)sulfonylamino]hexanoic acid?
6-[(4-ethoxyphenyl)sulfonylamino]hexanoic acid has a molecular weight of 315.39 g/mol, XLogP of 2.01, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethoxyphenyl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 43237660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).