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

C16H17ClN2O4S2 — CID 174431268

IUPACN-(4-chlorophenyl)-4-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1)c1ccc(CC2SC(O)NC2O)cc1
InChIInChI=1S/C16H17ClN2O4S2/c17-11-3-5-12(6-4-11)19-25(22,23)13-7-1-10(2-8-13)9-14-15(20)18-16(21)24-14/h1-8,14-16,18-21H,9H2
InChIKeyZNPDSPBEOZECNE-UHFFFAOYSA-N
MW400.91 g/mol
LogP1.98
Rot. Bonds5

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

N-(4-chlorophenyl)-4-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide (PubChem CID 174431268) has the molecular formula C16H17ClN2O4S2 and a molecular weight of 400.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide
PubChem CID174431268
Molecular FormulaC16H17ClN2O4S2
Molecular Weight400.91 g/mol
Exact Mass400.03
IUPAC NameN-(4-chlorophenyl)-4-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1)c1ccc(CC2SC(O)NC2O)cc1
InChIInChI=1S/C16H17ClN2O4S2/c17-11-3-5-12(6-4-11)19-25(22,23)13-7-1-10(2-8-13)9-14-15(20)18-16(21)24-14/h1-8,14-16,18-21H,9H2
InChIKeyZNPDSPBEOZECNE-UHFFFAOYSA-N
XLogP1.98
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-chloroethyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 43662747
4-chloro-N-[4-(chloromethyl)phenyl]benzenesulfonamide
CID 65031117
N-[2-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]phenyl]benzenesulfonamide
CID 174447852
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
4-(3-aminopropyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 106060775
N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773341
4-[(4-chlorophenyl)sulfamoyl]benzamide
CID 27187051
N-(4-chlorophenyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106060850
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22202641
4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide
CID 28719478
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
2-(4-chlorophenyl)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 4936631

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-4-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide (CID 174431268) is N-(4-chlorophenyl)-4-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(CC2SC(O)NC2O)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide?
The InChIKey is ZNPDSPBEOZECNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S2/c17-11-3-5-12(6-4-11)19-25(22,23)13-7-1-10(2-8-13)9-14-15(20)18-16(21)24-14/h1-8,14-16,18-21H,9H2.
What are the key properties of N-(4-chlorophenyl)-4-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide?
N-(4-chlorophenyl)-4-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide has a molecular weight of 400.91 g/mol, XLogP of 1.98, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[(2,4-dihydroxy-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 174431268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).