N-[2-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]phenyl]benzenesulfonamide

C16H18N2O4S2 — CID 174447852

IUPACN-[2-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1CC1SC(O)NC1O)c1ccccc1
InChIInChI=1S/C16H18N2O4S2/c19-15-14(23-16(20)17-15)10-11-6-4-5-9-13(11)18-24(21,22)12-7-2-1-3-8-12/h1-9,14-20H,10H2
InChIKeyALMBSONMJPZLQZ-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.33
Rot. Bonds5

About N-[2-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]phenyl]benzenesulfonamide

N-[2-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]phenyl]benzenesulfonamide (PubChem CID 174447852) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[2-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]phenyl]benzenesulfonamide
PubChem CID174447852
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC NameN-[2-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1CC1SC(O)NC1O)c1ccccc1
InChIInChI=1S/C16H18N2O4S2/c19-15-14(23-16(20)17-15)10-11-6-4-5-9-13(11)18-24(21,22)12-7-2-1-3-8-12/h1-9,14-20H,10H2
InChIKeyALMBSONMJPZLQZ-UHFFFAOYSA-N
XLogP1.33
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide
CID 11979200
N-[2-[[[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide
CID 140144602
N-(4-chlorophenyl)-4-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide
CID 174431268

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[2-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]phenyl]benzenesulfonamide (CID 174447852) is N-[2-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1CC1SC(O)NC1O)c1ccccc1.
What is the InChIKey of N-[2-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]phenyl]benzenesulfonamide?
The InChIKey is ALMBSONMJPZLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c19-15-14(23-16(20)17-15)10-11-6-4-5-9-13(11)18-24(21,22)12-7-2-1-3-8-12/h1-9,14-20H,10H2.
What are the key properties of N-[2-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]phenyl]benzenesulfonamide?
N-[2-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]phenyl]benzenesulfonamide has a molecular weight of 366.46 g/mol, XLogP of 1.33, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 174447852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).