N-[(3-hydroxyphenyl)methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide

C22H19N3O3S2 — CID 54464401

IUPACN-[(3-hydroxyphenyl)methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(c1cccnc1)N(Cc1ccc(-c2nccs2)cc1)Cc1cccc(O)c1
InChIInChI=1S/C22H19N3O3S2/c26-20-4-1-3-18(13-20)16-25(30(27,28)21-5-2-10-23-14-21)15-17-6-8-19(9-7-17)22-24-11-12-29-22/h1-14,26H,15-16H2
InChIKeyJSVUSCKKDRYRIQ-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.30
Rot. Bonds7

About N-[(3-hydroxyphenyl)methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide

N-[(3-hydroxyphenyl)methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide (PubChem CID 54464401) has the molecular formula C22H19N3O3S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide
PubChem CID54464401
Molecular FormulaC22H19N3O3S2
Molecular Weight437.55 g/mol
Exact Mass437.09
IUPAC NameN-[(3-hydroxyphenyl)methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(c1cccnc1)N(Cc1ccc(-c2nccs2)cc1)Cc1cccc(O)c1
InChIInChI=1S/C22H19N3O3S2/c26-20-4-1-3-18(13-20)16-25(30(27,28)21-5-2-10-23-14-21)15-17-6-8-19(9-7-17)22-24-11-12-29-22/h1-14,26H,15-16H2
InChIKeyJSVUSCKKDRYRIQ-UHFFFAOYSA-N
XLogP4.30
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-hydroxyphenyl)methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide with MolForge

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Related Compounds

2-[3-[[pyridin-3-ylsulfonyl-[[4-(1,3-thiazol-2-yl)phenyl]methyl]amino]methyl]phenyl]acetic acid
CID 10140611
2-[3-[[pyridin-3-ylsulfonyl-[[4-(1,3-thiazol-2-yl)phenyl]methyl]amino]methyl]phenoxy]acetic acid
CID 10206935
3-[3-[[pyridin-3-ylsulfonyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]methyl]phenyl]propanoic acid
CID 18376209
CID 66921358
CID 66921358
N-benzyl-N-[[4-(3-hydroxybutan-2-yl)phenyl]methyl]pyridine-3-sulfonamide
CID 141072849
2-[3-[[pyridin-3-ylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]anilino]acetic acid
CID 177380872
2-[3-[[[4-(1,2-dihydroxypropan-2-yl)phenyl]methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetic acid
CID 10238971
N-benzyl-N-(2-chloroethyl)pyridine-3-sulfonamide
CID 63396584
N-benzyl-N-(2-bromoethyl)pyridine-3-sulfonamide
CID 80673646
N-[(6-amino-2-pyridinyl)methyl]-N-[[4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-sulfonamide
CID 118690001
methyl 3-[3-[[(4-pyrazin-2-ylphenyl)methyl-(1,3-thiazol-2-ylsulfonyl)amino]methyl]phenyl]propanoate
CID 54252944
N-benzyl-N-[(2S)-2-hydroxy-2-methylbutyl]pyridine-3-sulfonamide
CID 99789218

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide (CID 54464401) is N-[(3-hydroxyphenyl)methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide is O=S(=O)(c1cccnc1)N(Cc1ccc(-c2nccs2)cc1)Cc1cccc(O)c1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide?
The InChIKey is JSVUSCKKDRYRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S2/c26-20-4-1-3-18(13-20)16-25(30(27,28)21-5-2-10-23-14-21)15-17-6-8-19(9-7-17)22-24-11-12-29-22/h1-14,26H,15-16H2.
What are the key properties of N-[(3-hydroxyphenyl)methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide?
N-[(3-hydroxyphenyl)methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide has a molecular weight of 437.55 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 54464401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).