N-[4-(3-fluoro-4-methoxyphenyl)-1-(3-hydroxypropyl)pyrazol-3-yl]benzenesulfonamide

C19H20FN3O4S — CID 23367300

IUPACN-[4-(3-fluoro-4-methoxyphenyl)-1-(3-hydroxypropyl)pyrazol-3-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cn(CCCO)nc2NS(=O)(=O)c2ccccc2)cc1F
InChIInChI=1S/C19H20FN3O4S/c1-27-18-9-8-14(12-17(18)20)16-13-23(10-5-11-24)21-19(16)22-28(25,26)15-6-3-2-4-7-15/h2-4,6-9,12-13,24H,5,10-11H2,1H3,(H,21,22)
InChIKeyANBSWIISLZJPAJ-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.88
Rot. Bonds8

About N-[4-(3-fluoro-4-methoxyphenyl)-1-(3-hydroxypropyl)pyrazol-3-yl]benzenesulfonamide

N-[4-(3-fluoro-4-methoxyphenyl)-1-(3-hydroxypropyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 23367300) has the molecular formula C19H20FN3O4S and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[4-(3-fluoro-4-methoxyphenyl)-1-(3-hydroxypropyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-fluoro-4-methoxyphenyl)-1-(3-hydroxypropyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID23367300
Molecular FormulaC19H20FN3O4S
Molecular Weight405.45 g/mol
Exact Mass405.12
IUPAC NameN-[4-(3-fluoro-4-methoxyphenyl)-1-(3-hydroxypropyl)pyrazol-3-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cn(CCCO)nc2NS(=O)(=O)c2ccccc2)cc1F
InChIInChI=1S/C19H20FN3O4S/c1-27-18-9-8-14(12-17(18)20)16-13-23(10-5-11-24)21-19(16)22-28(25,26)15-6-3-2-4-7-15/h2-4,6-9,12-13,24H,5,10-11H2,1H3,(H,21,22)
InChIKeyANBSWIISLZJPAJ-UHFFFAOYSA-N
XLogP2.88
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 67594851
N-[5-cyano-1-(cyanomethyl)-4-(3-fluoro-4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide
CID 67645494
3-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]propan-1-ol
CID 29068891
3-fluoro-4-methoxy-N-(2-phenylphenyl)benzenesulfonamide
CID 39825493
N-[1-(3-hydroxypropyl)-4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 67646089
N-[3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 67594962
N-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 23217148
2-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide
CID 67645662
4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
CID 10808251
[4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)pyrazol-3-yl]methanol
CID 19355488
N-[4,5-difluoro-2-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 67653567
N-[1-(3-hydroxypropyl)-4-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 67645250

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluoro-4-methoxyphenyl)-1-(3-hydroxypropyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[4-(3-fluoro-4-methoxyphenyl)-1-(3-hydroxypropyl)pyrazol-3-yl]benzenesulfonamide (CID 23367300) is N-[4-(3-fluoro-4-methoxyphenyl)-1-(3-hydroxypropyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-(3-fluoro-4-methoxyphenyl)-1-(3-hydroxypropyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[4-(3-fluoro-4-methoxyphenyl)-1-(3-hydroxypropyl)pyrazol-3-yl]benzenesulfonamide is COc1ccc(-c2cn(CCCO)nc2NS(=O)(=O)c2ccccc2)cc1F.
What is the InChIKey of N-[4-(3-fluoro-4-methoxyphenyl)-1-(3-hydroxypropyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is ANBSWIISLZJPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4S/c1-27-18-9-8-14(12-17(18)20)16-13-23(10-5-11-24)21-19(16)22-28(25,26)15-6-3-2-4-7-15/h2-4,6-9,12-13,24H,5,10-11H2,1H3,(H,21,22).
What are the key properties of N-[4-(3-fluoro-4-methoxyphenyl)-1-(3-hydroxypropyl)pyrazol-3-yl]benzenesulfonamide?
N-[4-(3-fluoro-4-methoxyphenyl)-1-(3-hydroxypropyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 405.45 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoro-4-methoxyphenyl)-1-(3-hydroxypropyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 23367300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).