4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide

C16H17N3O3S2 — CID 14700316

IUPAC4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide
SMILESCc1c(O)c(C)c2sc(Nc3ccc(S(N)(=O)=O)cc3)nc2c1C
InChIInChI=1S/C16H17N3O3S2/c1-8-9(2)14(20)10(3)15-13(8)19-16(23-15)18-11-4-6-12(7-5-11)24(17,21)22/h4-7,20H,1-3H3,(H,18,19)(H2,17,21,22)
InChIKeyLDOUUHZVBBMKOT-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.32
Rot. Bonds3

About 4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide

4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide (PubChem CID 14700316) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide
PubChem CID14700316
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC Name4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide
SMILESCc1c(O)c(C)c2sc(Nc3ccc(S(N)(=O)=O)cc3)nc2c1C
InChIInChI=1S/C16H17N3O3S2/c1-8-9(2)14(20)10(3)15-13(8)19-16(23-15)18-11-4-6-12(7-5-11)24(17,21)22/h4-7,20H,1-3H3,(H,18,19)(H2,17,21,22)
InChIKeyLDOUUHZVBBMKOT-UHFFFAOYSA-N
XLogP3.32
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide with MolForge

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Related Compounds

2-(4-methoxyanilino)-4,5,7-trimethyl-1,3-benzothiazol-6-ol
CID 14700312
4-[(5-acetyl-4-amino-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 141008632
4-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide
CID 79126584
4-[[4-amino-5-(1,5-dimethylimidazole-4-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 18521876
4-[[2-(2,6-dimethylanilino)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]amino]benzenesulfonamide
CID 24883259
4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 2928782
4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 10001591
N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 14700264
4-methyl-2-(4-methylsulfonylanilino)-1,3-thiazole-5-carboxylic acid
CID 80569518
[4,5,7-trimethyl-2-[(4-sulfamoylphenyl)methylamino]-1,3-benzothiazol-6-yl] N-ethylcarbamate
CID 14700338
4-[[4-(2,6-dimethoxy-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 164587760
ethyl 3-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropanoate
CID 14700276

Frequently Asked Questions

What is the IUPAC name of 4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide (CID 14700316) is 4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide is Cc1c(O)c(C)c2sc(Nc3ccc(S(N)(=O)=O)cc3)nc2c1C.
What is the InChIKey of 4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide?
The InChIKey is LDOUUHZVBBMKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c1-8-9(2)14(20)10(3)15-13(8)19-16(23-15)18-11-4-6-12(7-5-11)24(17,21)22/h4-7,20H,1-3H3,(H,18,19)(H2,17,21,22).
What are the key properties of 4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide?
4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide has a molecular weight of 363.46 g/mol, XLogP of 3.32, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 14700316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).