N,N-dimethyl-4-[2-(4-phenoxyanilino)-1,3-thiazol-4-yl]benzenesulfonamide

C23H21N3O3S2 — CID 58910466

IUPACN,N-dimethyl-4-[2-(4-phenoxyanilino)-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C23H21N3O3S2/c1-26(2)31(27,28)21-14-8-17(9-15-21)22-16-30-23(25-22)24-18-10-12-20(13-11-18)29-19-6-4-3-5-7-19/h3-16H,1-2H3,(H,24,25)
InChIKeyZKFIHSXIHWJBIF-UHFFFAOYSA-N
MW451.57 g/mol
LogP5.60
Rot. Bonds7

About N,N-dimethyl-4-[2-(4-phenoxyanilino)-1,3-thiazol-4-yl]benzenesulfonamide

N,N-dimethyl-4-[2-(4-phenoxyanilino)-1,3-thiazol-4-yl]benzenesulfonamide (PubChem CID 58910466) has the molecular formula C23H21N3O3S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(4-phenoxyanilino)-1,3-thiazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(4-phenoxyanilino)-1,3-thiazol-4-yl]benzenesulfonamide
PubChem CID58910466
Molecular FormulaC23H21N3O3S2
Molecular Weight451.57 g/mol
Exact Mass451.10
IUPAC NameN,N-dimethyl-4-[2-(4-phenoxyanilino)-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C23H21N3O3S2/c1-26(2)31(27,28)21-14-8-17(9-15-21)22-16-30-23(25-22)24-18-10-12-20(13-11-18)29-19-6-4-3-5-7-19/h3-16H,1-2H3,(H,24,25)
InChIKeyZKFIHSXIHWJBIF-UHFFFAOYSA-N
XLogP5.60
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
CID 58911132
4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858168
N-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 17398323
4-(dimethylsulfamoyl)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492854
4-(4-fluoro-3-methylphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
CID 5230087
N-[4-(4-methylphenoxy)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791876
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 9330073
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
4-(4-fluorophenyl)-N-(3-phenoxyphenyl)-1,3-thiazol-2-amine
CID 58791434
N,N-dimethyl-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 17405572
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 17012865
1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 1044223

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(4-phenoxyanilino)-1,3-thiazol-4-yl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[2-(4-phenoxyanilino)-1,3-thiazol-4-yl]benzenesulfonamide (CID 58910466) is N,N-dimethyl-4-[2-(4-phenoxyanilino)-1,3-thiazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(4-phenoxyanilino)-1,3-thiazol-4-yl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[2-(4-phenoxyanilino)-1,3-thiazol-4-yl]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-(4-phenoxyanilino)-1,3-thiazol-4-yl]benzenesulfonamide?
The InChIKey is ZKFIHSXIHWJBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S2/c1-26(2)31(27,28)21-14-8-17(9-15-21)22-16-30-23(25-22)24-18-10-12-20(13-11-18)29-19-6-4-3-5-7-19/h3-16H,1-2H3,(H,24,25).
What are the key properties of N,N-dimethyl-4-[2-(4-phenoxyanilino)-1,3-thiazol-4-yl]benzenesulfonamide?
N,N-dimethyl-4-[2-(4-phenoxyanilino)-1,3-thiazol-4-yl]benzenesulfonamide has a molecular weight of 451.57 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(4-phenoxyanilino)-1,3-thiazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 58910466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).