4-pentoxybenzenesulfinamide

C11H17NO2S — CID 22709300

IUPAC4-pentoxybenzenesulfinamide
SMILESCCCCCOc1ccc(S(N)=O)cc1
InChIInChI=1S/C11H17NO2S/c1-2-3-4-9-14-10-5-7-11(8-6-10)15(12)13/h5-8H,2-4,9,12H2,1H3
InChIKeyYFICGFLJMQMUOV-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.24
Rot. Bonds6

About 4-pentoxybenzenesulfinamide

4-pentoxybenzenesulfinamide (PubChem CID 22709300) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-pentoxybenzenesulfinamide.

Molecular Properties

Compound Name4-pentoxybenzenesulfinamide
PubChem CID22709300
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name4-pentoxybenzenesulfinamide
SMILESCCCCCOc1ccc(S(N)=O)cc1
InChIInChI=1S/C11H17NO2S/c1-2-3-4-9-14-10-5-7-11(8-6-10)15(12)13/h5-8H,2-4,9,12H2,1H3
InChIKeyYFICGFLJMQMUOV-UHFFFAOYSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1,4-di(pentacontoxy)benzene
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3-(4-hexoxyphenoxy)propan-1-amine
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1-heptoxy-4-(4-heptoxyphenyl)benzene
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1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
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6-octoxynaphthalene-2-sulfinate
CID 57010538
1-pentoxy-4-(sulfinoamino)benzene
CID 69101346
1-methoxy-4-tetradecoxybenzene
CID 91712423
(4-decoxyphenyl)methanamine
CID 55187501
(4-dodecoxyphenyl) sulfamate
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Frequently Asked Questions

What is the IUPAC name of 4-pentoxybenzenesulfinamide?
The IUPAC name of 4-pentoxybenzenesulfinamide (CID 22709300) is 4-pentoxybenzenesulfinamide.
What is the SMILES notation for 4-pentoxybenzenesulfinamide?
The canonical SMILES for 4-pentoxybenzenesulfinamide is CCCCCOc1ccc(S(N)=O)cc1.
What is the InChIKey of 4-pentoxybenzenesulfinamide?
The InChIKey is YFICGFLJMQMUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-2-3-4-9-14-10-5-7-11(8-6-10)15(12)13/h5-8H,2-4,9,12H2,1H3.
What are the key properties of 4-pentoxybenzenesulfinamide?
4-pentoxybenzenesulfinamide has a molecular weight of 227.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxybenzenesulfinamide is sourced from PubChem (CID 22709300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).