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

C16H14ClN3O3S2 — CID 13091811

IUPAC2-chloro-5-[2-(4-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCn1c(-c2ccc(Cl)c(S(N)(=O)=O)c2)cs/c1=N\c1ccc(O)cc1
InChIInChI=1S/C16H14ClN3O3S2/c1-20-14(10-2-7-13(17)15(8-10)25(18,22)23)9-24-16(20)19-11-3-5-12(21)6-4-11/h2-9,21H,1H3,(H2,18,22,23)/b19-16-
InChIKeyYYNKYPANFDHLNX-MNDPQUGUSA-N
MW395.89 g/mol
LogP2.99
Rot. Bonds3

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

2-chloro-5-[2-(4-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide (PubChem CID 13091811) has the molecular formula C16H14ClN3O3S2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 2-chloro-5-[2-(4-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[2-(4-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide
PubChem CID13091811
Molecular FormulaC16H14ClN3O3S2
Molecular Weight395.89 g/mol
Exact Mass395.02
IUPAC Name2-chloro-5-[2-(4-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCn1c(-c2ccc(Cl)c(S(N)(=O)=O)c2)cs/c1=N\c1ccc(O)cc1
InChIInChI=1S/C16H14ClN3O3S2/c1-20-14(10-2-7-13(17)15(8-10)25(18,22)23)9-24-16(20)19-11-3-5-12(21)6-4-11/h2-9,21H,1H3,(H2,18,22,23)/b19-16-
InChIKeyYYNKYPANFDHLNX-MNDPQUGUSA-N
XLogP2.99
TPSA97.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(4-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-[2-(4-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide (CID 13091811) is 2-chloro-5-[2-(4-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[2-(4-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-[2-(4-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide is Cn1c(-c2ccc(Cl)c(S(N)(=O)=O)c2)cs/c1=N\c1ccc(O)cc1.
What is the InChIKey of 2-chloro-5-[2-(4-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide?
The InChIKey is YYNKYPANFDHLNX-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H14ClN3O3S2/c1-20-14(10-2-7-13(17)15(8-10)25(18,22)23)9-24-16(20)19-11-3-5-12(21)6-4-11/h2-9,21H,1H3,(H2,18,22,23)/b19-16-.
What are the key properties of 2-chloro-5-[2-(4-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide?
2-chloro-5-[2-(4-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide has a molecular weight of 395.89 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(4-hydroxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 13091811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).