3-fluoro-N-(4-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide

C16H18FNO4S — CID 110758244

IUPAC3-fluoro-N-(4-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OC(C)C)c(F)c2)cc1
InChIInChI=1S/C16H18FNO4S/c1-11(2)22-16-9-8-14(10-15(16)17)23(19,20)18-12-4-6-13(21-3)7-5-12/h4-11,18H,1-3H3
InChIKeyNHGCGVNIYVATCP-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.42
Rot. Bonds6

About 3-fluoro-N-(4-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide

3-fluoro-N-(4-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide (PubChem CID 110758244) has the molecular formula C16H18FNO4S and a molecular weight of 339.39 g/mol. Its IUPAC name is 3-fluoro-N-(4-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(4-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
PubChem CID110758244
Molecular FormulaC16H18FNO4S
Molecular Weight339.39 g/mol
Exact Mass339.09
IUPAC Name3-fluoro-N-(4-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OC(C)C)c(F)c2)cc1
InChIInChI=1S/C16H18FNO4S/c1-11(2)22-16-9-8-14(10-15(16)17)23(19,20)18-12-4-6-13(21-3)7-5-12/h4-11,18H,1-3H3
InChIKeyNHGCGVNIYVATCP-UHFFFAOYSA-N
XLogP3.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758242
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
3-fluoro-4-propan-2-yloxy-N-pyridin-2-ylbenzenesulfonamide
CID 110758249
3,4-difluoro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 22465707
N-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 169371317
3-fluoro-4-propan-2-yloxybenzenesulfonic acid
CID 82475780
4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 3876115
N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 39825061
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide
CID 8504738
N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604875

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of 3-fluoro-N-(4-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide (CID 110758244) is 3-fluoro-N-(4-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(4-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(4-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(OC(C)C)c(F)c2)cc1.
What is the InChIKey of 3-fluoro-N-(4-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is NHGCGVNIYVATCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S/c1-11(2)22-16-9-8-14(10-15(16)17)23(19,20)18-12-4-6-13(21-3)7-5-12/h4-11,18H,1-3H3.
What are the key properties of 3-fluoro-N-(4-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide?
3-fluoro-N-(4-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 339.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 110758244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).