N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

C18H22FNO4S — CID 110665818

IUPACN-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCC(O)c2ccc(F)cc2)cc1C
InChIInChI=1S/C18H22FNO4S/c1-12-11-18(13(2)10-17(12)24-3)25(22,23)20-9-8-16(21)14-4-6-15(19)7-5-14/h4-7,10-11,16,20-21H,8-9H2,1-3H3
InChIKeyWBHNDPKTTHPQFZ-UHFFFAOYSA-N
MW367.44 g/mol
LogP2.85
Rot. Bonds7

About N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (PubChem CID 110665818) has the molecular formula C18H22FNO4S and a molecular weight of 367.44 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
PubChem CID110665818
Molecular FormulaC18H22FNO4S
Molecular Weight367.44 g/mol
Exact Mass367.13
IUPAC NameN-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCC(O)c2ccc(F)cc2)cc1C
InChIInChI=1S/C18H22FNO4S/c1-12-11-18(13(2)10-17(12)24-3)25(22,23)20-9-8-16(21)14-4-6-15(19)7-5-14/h4-7,10-11,16,20-21H,8-9H2,1-3H3
InChIKeyWBHNDPKTTHPQFZ-UHFFFAOYSA-N
XLogP2.85
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 71804459
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 91624402
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 51449275
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094
4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964849
N-[2-(4-fluorophenoxy)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 100563271
N-[3-(4-fluorophenyl)-3-hydroxypropyl]propane-1-sulfonamide
CID 110665794
N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide
CID 110665841
N-(3-fluorophenyl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide
CID 113000475
N-[(2S)-2-hydroxypropyl]-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 39730608
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 120717823

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (CID 110665818) is N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCCC(O)c2ccc(F)cc2)cc1C.
What is the InChIKey of N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The InChIKey is WBHNDPKTTHPQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO4S/c1-12-11-18(13(2)10-17(12)24-3)25(22,23)20-9-8-16(21)14-4-6-15(19)7-5-14/h4-7,10-11,16,20-21H,8-9H2,1-3H3.
What are the key properties of N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide has a molecular weight of 367.44 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 110665818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).