5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide

C17H20FNO3S — CID 850108

IUPAC5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H20FNO3S/c1-17(2,3)12-5-10-15(22-4)16(11-12)23(20,21)19-14-8-6-13(18)7-9-14/h5-11,19H,1-4H3
InChIKeyUQARISAAXFELHZ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.93
Rot. Bonds4

About 5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide

5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide (PubChem CID 850108) has the molecular formula C17H20FNO3S and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide
PubChem CID850108
Molecular FormulaC17H20FNO3S
Molecular Weight337.42 g/mol
Exact Mass337.11
IUPAC Name5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H20FNO3S/c1-17(2,3)12-5-10-15(22-4)16(11-12)23(20,21)19-14-8-6-13(18)7-9-14/h5-11,19H,1-4H3
InChIKeyUQARISAAXFELHZ-UHFFFAOYSA-N
XLogP3.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 850026
N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 41446937
2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 28560651
5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970310
2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 56816264
4-[(5-fluoro-2-methoxyphenyl)sulfonylamino]benzoate
CID 7312195
N-(4-tert-butylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822435
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-4-fluorobenzamide
CID 26850573
2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2538540
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 17018087

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide (CID 850108) is 5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide is COc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of 5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide?
The InChIKey is UQARISAAXFELHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3S/c1-17(2,3)12-5-10-15(22-4)16(11-12)23(20,21)19-14-8-6-13(18)7-9-14/h5-11,19H,1-4H3.
What are the key properties of 5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide?
5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide has a molecular weight of 337.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 850108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).