5-fluoro-2-(2-methoxyethoxy)-N-(3-methylpiperidin-4-yl)benzenesulfonamide

C15H23FN2O4S — CID 120725128

IUPAC5-fluoro-2-(2-methoxyethoxy)-N-(3-methylpiperidin-4-yl)benzenesulfonamide
SMILESCOCCOc1ccc(F)cc1S(=O)(=O)NC1CCNCC1C
InChIInChI=1S/C15H23FN2O4S/c1-11-10-17-6-5-13(11)18-23(19,20)15-9-12(16)3-4-14(15)22-8-7-21-2/h3-4,9,11,13,17-18H,5-8,10H2,1-2H3
InChIKeyRHYCQRVVYGIEBF-UHFFFAOYSA-N
MW346.42 g/mol
LogP1.13
Rot. Bonds7

About 5-fluoro-2-(2-methoxyethoxy)-N-(3-methylpiperidin-4-yl)benzenesulfonamide

5-fluoro-2-(2-methoxyethoxy)-N-(3-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 120725128) has the molecular formula C15H23FN2O4S and a molecular weight of 346.42 g/mol. Its IUPAC name is 5-fluoro-2-(2-methoxyethoxy)-N-(3-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-(2-methoxyethoxy)-N-(3-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID120725128
Molecular FormulaC15H23FN2O4S
Molecular Weight346.42 g/mol
Exact Mass346.14
IUPAC Name5-fluoro-2-(2-methoxyethoxy)-N-(3-methylpiperidin-4-yl)benzenesulfonamide
SMILESCOCCOc1ccc(F)cc1S(=O)(=O)NC1CCNCC1C
InChIInChI=1S/C15H23FN2O4S/c1-11-10-17-6-5-13(11)18-23(19,20)15-9-12(16)3-4-14(15)22-8-7-21-2/h3-4,9,11,13,17-18H,5-8,10H2,1-2H3
InChIKeyRHYCQRVVYGIEBF-UHFFFAOYSA-N
XLogP1.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725186
4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
CID 124516981
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide
CID 120707764
1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-2-methylpiperazine
CID 120708128
5-fluoro-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 7343981
4-methoxy-N-(3-methylpiperidin-4-yl)naphthalene-1-sulfonamide
CID 120725200
methyl 2-fluoro-6-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 120724853
N-(2-amino-2-cyclopropylethyl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
CID 120713286
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725034
5-fluoro-2-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896300
2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725133
2,5-dichloro-4-methoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
CID 129467888

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methoxyethoxy)-N-(3-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-(2-methoxyethoxy)-N-(3-methylpiperidin-4-yl)benzenesulfonamide (CID 120725128) is 5-fluoro-2-(2-methoxyethoxy)-N-(3-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-(2-methoxyethoxy)-N-(3-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-(2-methoxyethoxy)-N-(3-methylpiperidin-4-yl)benzenesulfonamide is COCCOc1ccc(F)cc1S(=O)(=O)NC1CCNCC1C.
What is the InChIKey of 5-fluoro-2-(2-methoxyethoxy)-N-(3-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is RHYCQRVVYGIEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O4S/c1-11-10-17-6-5-13(11)18-23(19,20)15-9-12(16)3-4-14(15)22-8-7-21-2/h3-4,9,11,13,17-18H,5-8,10H2,1-2H3.
What are the key properties of 5-fluoro-2-(2-methoxyethoxy)-N-(3-methylpiperidin-4-yl)benzenesulfonamide?
5-fluoro-2-(2-methoxyethoxy)-N-(3-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 346.42 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methoxyethoxy)-N-(3-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 120725128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).