4-fluoro-3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide

C15H16FNO4S — CID 110294725

IUPAC4-fluoro-3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NOCCOc2ccccc2)ccc1F
InChIInChI=1S/C15H16FNO4S/c1-12-11-14(7-8-15(12)16)22(18,19)17-21-10-9-20-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3
InChIKeyUJDNTLCFJXQMGT-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.42
Rot. Bonds7

About 4-fluoro-3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide

4-fluoro-3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide (PubChem CID 110294725) has the molecular formula C15H16FNO4S and a molecular weight of 325.36 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide
PubChem CID110294725
Molecular FormulaC15H16FNO4S
Molecular Weight325.36 g/mol
Exact Mass325.08
IUPAC Name4-fluoro-3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NOCCOc2ccccc2)ccc1F
InChIInChI=1S/C15H16FNO4S/c1-12-11-14(7-8-15(12)16)22(18,19)17-21-10-9-20-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3
InChIKeyUJDNTLCFJXQMGT-UHFFFAOYSA-N
XLogP2.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide
CID 110294740
4-fluoro-3-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099147
N-[2-(3,4-difluorophenoxy)ethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113102526
3-ethyl-2-oxo-N-(2-phenoxyethoxy)-1,3-benzoxazole-6-sulfonamide
CID 110311284
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
N-[2-(2,6-dimethylphenoxy)ethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113100790
N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 95970982
4-fluoro-N-(2-phenoxyethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 30365653
N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934577
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide
CID 32934295
1-(4-fluoro-3-methylphenyl)-3-phenoxypropan-1-ol
CID 62608597

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide (CID 110294725) is 4-fluoro-3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide is Cc1cc(S(=O)(=O)NOCCOc2ccccc2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide?
The InChIKey is UJDNTLCFJXQMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4S/c1-12-11-14(7-8-15(12)16)22(18,19)17-21-10-9-20-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3.
What are the key properties of 4-fluoro-3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide?
4-fluoro-3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide has a molecular weight of 325.36 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide is sourced from PubChem (CID 110294725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).