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

C16H14ClN3O3S2 — CID 1079726

IUPAC4-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(NCc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C16H14ClN3O3S2/c17-12-1-6-15(21)11(9-12)10-19-13-2-4-14(5-3-13)25(22,23)20-16-18-7-8-24-16/h1-9,19,21H,10H2,(H,18,20)
InChIKeyZYXOXRVBILGFMQ-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.91
Rot. Bonds6

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

4-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 1079726) has the molecular formula C16H14ClN3O3S2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 4-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID1079726
Molecular FormulaC16H14ClN3O3S2
Molecular Weight395.89 g/mol
Exact Mass395.02
IUPAC Name4-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(NCc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C16H14ClN3O3S2/c17-12-1-6-15(21)11(9-12)10-19-13-2-4-14(5-3-13)25(22,23)20-16-18-7-8-24-16/h1-9,19,21H,10H2,(H,18,20)
InChIKeyZYXOXRVBILGFMQ-UHFFFAOYSA-N
XLogP3.91
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-Chloro-2-[(1,3-thiazol-2-ylamino)methyl]phenol
CID 2190149
4-(2-Hydroxy-5-methyl-benzylamino)-N-thiazol-2-yl-benzenesulfonamide
CID 1079728
4-((2-hydroxybenzyl)amino)-N-(thiazol-2-yl)benzenesulfonamide
CID 1079725
4-[(2-hydroxy-3-prop-2-enylphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 70701362
4-[(4-chloro-2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 70701366
4-[(4-bromo-2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 70701367
4-[(3-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 70701370
4-[(2-hydroxy-3-nitrophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 70701373
4-[(3-chloro-2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 70701377
4-[(2-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 70701391
4-[(2-hydroxy-3-methylphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 70701399
4-[(2-hydroxy-5-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 70701400

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 1079726) is 4-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1ccc(NCc2cc(Cl)ccc2O)cc1.
What is the InChIKey of 4-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is ZYXOXRVBILGFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S2/c17-12-1-6-15(21)11(9-12)10-19-13-2-4-14(5-3-13)25(22,23)20-16-18-7-8-24-16/h1-9,19,21H,10H2,(H,18,20).
What are the key properties of 4-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 395.89 g/mol, XLogP of 3.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 1079726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).