4-chloro-N-[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide

C15H11ClN2O4S2 — CID 3009164

IUPAC4-chloro-N-[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2cc(O)ccc2O)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O4S2/c16-9-1-4-11(5-2-9)24(21,22)18-15-17-13(8-23-15)12-7-10(19)3-6-14(12)20/h1-8,19-20H,(H,17,18)
InChIKeyQOLJYABPYIZXJG-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.68
Rot. Bonds4

About 4-chloro-N-[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide

4-chloro-N-[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 3009164) has the molecular formula C15H11ClN2O4S2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 4-chloro-N-[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID3009164
Molecular FormulaC15H11ClN2O4S2
Molecular Weight382.85 g/mol
Exact Mass381.98
IUPAC Name4-chloro-N-[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2cc(O)ccc2O)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O4S2/c16-9-1-4-11(5-2-9)24(21,22)18-15-17-13(8-23-15)12-7-10(19)3-6-14(12)20/h1-8,19-20H,(H,17,18)
InChIKeyQOLJYABPYIZXJG-UHFFFAOYSA-N
XLogP3.68
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide
CID 91966356
N-[4-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide
CID 13219372
methyl 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]benzoate
CID 154749823
4-chloro-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 3009168
4-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43135540
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 7510361
4-[[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 87078168
2-(2-amino-1,3-thiazol-4-yl)benzene-1,4-diol
CID 13437302
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 112769091
4-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61481092
N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-4-chlorobenzenesulfonamide
CID 15865923
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10222134

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 3009164) is 4-chloro-N-[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc(-c2cc(O)ccc2O)cs1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is QOLJYABPYIZXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O4S2/c16-9-1-4-11(5-2-9)24(21,22)18-15-17-13(8-23-15)12-7-10(19)3-6-14(12)20/h1-8,19-20H,(H,17,18).
What are the key properties of 4-chloro-N-[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
4-chloro-N-[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 382.85 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 3009164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).