4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]benzenesulfonamide

C17H13F2N3O3S — CID 135747634

IUPAC4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]benzenesulfonamide
SMILESNc1ncc(-c2ccc(S(N)(=O)=O)cc2)cc1-c1cc(F)c(O)c(F)c1
InChIInChI=1S/C17H13F2N3O3S/c18-14-6-10(7-15(19)16(14)23)13-5-11(8-22-17(13)20)9-1-3-12(4-2-9)26(21,24)25/h1-8,23H,(H2,20,22)(H2,21,24,25)
InChIKeyMTBXQYCZMOAADV-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.63
Rot. Bonds3

About 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]benzenesulfonamide

4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]benzenesulfonamide (PubChem CID 135747634) has the molecular formula C17H13F2N3O3S and a molecular weight of 377.37 g/mol. Its IUPAC name is 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]benzenesulfonamide
PubChem CID135747634
Molecular FormulaC17H13F2N3O3S
Molecular Weight377.37 g/mol
Exact Mass377.06
IUPAC Name4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]benzenesulfonamide
SMILESNc1ncc(-c2ccc(S(N)(=O)=O)cc2)cc1-c1cc(F)c(O)c(F)c1
InChIInChI=1S/C17H13F2N3O3S/c18-14-6-10(7-15(19)16(14)23)13-5-11(8-22-17(13)20)9-1-3-12(4-2-9)26(21,24)25/h1-8,23H,(H2,20,22)(H2,21,24,25)
InChIKeyMTBXQYCZMOAADV-UHFFFAOYSA-N
XLogP2.63
TPSA119.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-{6-Amino-5-[4-(Methylsulfonyl)phenyl]pyridin-3-Yl}phenol
CID 105539853
4,4'-(2-Aminopyridine-3,5-diyl)bis(2,6-difluorophenol)
CID 131953527
(2s)-2-{4'-[(6-Aminopyridin-3-Yl)sulfonyl]biphenyl-4-Yl}-1,1,1-Trifluoropropan-2-Ol
CID 66582902
3-[2-Amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol
CID 44525557
4-[2-Amino-5-(4-methylsulfonyl-phenyl)-3-pyridyl]phenol
CID 24821157
2-(4'-((6-Amino-3-pyridinyl)sulfonyl)-4-biphenylyl)-1,1,1-trifluoro-2-propanol
CID 66582331
4,4'-(2-Amino-4-methylpyridine-3,5-diyl)diphenol
CID 122531706
4,4'-(2-Amino-4-ethylpyridine-3,5-diyl)diphenol
CID 122531737
4-(2-Amino-4-ethyl-5-phenylpyridin-3-yl)phenol
CID 122531796
4-[6-(Dimethylamino)-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol
CID 155521619
4-[6-Amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethylphenol
CID 155552326
3-[6-Amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenol
CID 155562820

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]benzenesulfonamide (CID 135747634) is 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]benzenesulfonamide is Nc1ncc(-c2ccc(S(N)(=O)=O)cc2)cc1-c1cc(F)c(O)c(F)c1.
What is the InChIKey of 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is MTBXQYCZMOAADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O3S/c18-14-6-10(7-15(19)16(14)23)13-5-11(8-22-17(13)20)9-1-3-12(4-2-9)26(21,24)25/h1-8,23H,(H2,20,22)(H2,21,24,25).
What are the key properties of 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]benzenesulfonamide?
4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 377.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 135747634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).