N-(4-fluoro-3-methoxyphenyl)-1-hydroxypropane-2-sulfonamide

C10H14FNO4S — CID 114135666

IUPACN-(4-fluoro-3-methoxyphenyl)-1-hydroxypropane-2-sulfonamide
SMILESCOc1cc(NS(=O)(=O)C(C)CO)ccc1F
InChIInChI=1S/C10H14FNO4S/c1-7(6-13)17(14,15)12-8-3-4-9(11)10(5-8)16-2/h3-5,7,12-13H,6H2,1-2H3
InChIKeySRZDQKVTAZMLQD-UHFFFAOYSA-N
MW263.29 g/mol
LogP0.96
Rot. Bonds5

About N-(4-fluoro-3-methoxyphenyl)-1-hydroxypropane-2-sulfonamide

N-(4-fluoro-3-methoxyphenyl)-1-hydroxypropane-2-sulfonamide (PubChem CID 114135666) has the molecular formula C10H14FNO4S and a molecular weight of 263.29 g/mol. Its IUPAC name is N-(4-fluoro-3-methoxyphenyl)-1-hydroxypropane-2-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methoxyphenyl)-1-hydroxypropane-2-sulfonamide
PubChem CID114135666
Molecular FormulaC10H14FNO4S
Molecular Weight263.29 g/mol
Exact Mass263.06
IUPAC NameN-(4-fluoro-3-methoxyphenyl)-1-hydroxypropane-2-sulfonamide
SMILESCOc1cc(NS(=O)(=O)C(C)CO)ccc1F
InChIInChI=1S/C10H14FNO4S/c1-7(6-13)17(14,15)12-8-3-4-9(11)10(5-8)16-2/h3-5,7,12-13H,6H2,1-2H3
InChIKeySRZDQKVTAZMLQD-UHFFFAOYSA-N
XLogP0.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-fluoro-3-methoxyphenyl)ethanesulfonamide
CID 114839213
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 114840301
3-amino-2-(4-fluoro-3-methoxyanilino)propan-1-ol
CID 114839015
N-(4-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106086490
2-(4-fluoro-3-methoxyanilino)-N-methylpropanamide
CID 114839350
3-amino-N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 114837025
3-(4-fluoro-3-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114899105
N-(4-ethoxy-3-methoxyphenyl)propane-2-sulfonamide
CID 62997998
N-(3,4-difluorophenyl)-1-(ethylamino)propane-2-sulfonamide
CID 114141175
3-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide
CID 114839717
N-(4-methoxy-3-methylphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106053288
N-(4-bromo-3-methoxyphenyl)-1-(propylamino)propane-2-sulfonamide
CID 106076653

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methoxyphenyl)-1-hydroxypropane-2-sulfonamide?
The IUPAC name of N-(4-fluoro-3-methoxyphenyl)-1-hydroxypropane-2-sulfonamide (CID 114135666) is N-(4-fluoro-3-methoxyphenyl)-1-hydroxypropane-2-sulfonamide.
What is the SMILES notation for N-(4-fluoro-3-methoxyphenyl)-1-hydroxypropane-2-sulfonamide?
The canonical SMILES for N-(4-fluoro-3-methoxyphenyl)-1-hydroxypropane-2-sulfonamide is COc1cc(NS(=O)(=O)C(C)CO)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methoxyphenyl)-1-hydroxypropane-2-sulfonamide?
The InChIKey is SRZDQKVTAZMLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO4S/c1-7(6-13)17(14,15)12-8-3-4-9(11)10(5-8)16-2/h3-5,7,12-13H,6H2,1-2H3.
What are the key properties of N-(4-fluoro-3-methoxyphenyl)-1-hydroxypropane-2-sulfonamide?
N-(4-fluoro-3-methoxyphenyl)-1-hydroxypropane-2-sulfonamide has a molecular weight of 263.29 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methoxyphenyl)-1-hydroxypropane-2-sulfonamide is sourced from PubChem (CID 114135666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).