2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide

C18H23FN2O3S — CID 12952430

IUPAC2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide
SMILESCC(CCc1ccccc1)NCC(O)c1ccc(F)c(S(N)(=O)=O)c1
InChIInChI=1S/C18H23FN2O3S/c1-13(7-8-14-5-3-2-4-6-14)21-12-17(22)15-9-10-16(19)18(11-15)25(20,23)24/h2-6,9-11,13,17,21-22H,7-8,12H2,1H3,(H2,20,23,24)
InChIKeyKAQAYALKCDNOSF-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.12
Rot. Bonds8

About 2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide

2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide (PubChem CID 12952430) has the molecular formula C18H23FN2O3S and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide
PubChem CID12952430
Molecular FormulaC18H23FN2O3S
Molecular Weight366.46 g/mol
Exact Mass366.14
IUPAC Name2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide
SMILESCC(CCc1ccccc1)NCC(O)c1ccc(F)c(S(N)(=O)=O)c1
InChIInChI=1S/C18H23FN2O3S/c1-13(7-8-14-5-3-2-4-6-14)21-12-17(22)15-9-10-16(19)18(11-15)25(20,23)24/h2-6,9-11,13,17,21-22H,7-8,12H2,1H3,(H2,20,23,24)
InChIKeyKAQAYALKCDNOSF-UHFFFAOYSA-N
XLogP2.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide (CID 12952430) is 2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide is CC(CCc1ccccc1)NCC(O)c1ccc(F)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide?
The InChIKey is KAQAYALKCDNOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3S/c1-13(7-8-14-5-3-2-4-6-14)21-12-17(22)15-9-10-16(19)18(11-15)25(20,23)24/h2-6,9-11,13,17,21-22H,7-8,12H2,1H3,(H2,20,23,24).
What are the key properties of 2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide?
2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide has a molecular weight of 366.46 g/mol, XLogP of 2.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 12952430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).