N-methyl-4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide

C15H14N4O2S2 — CID 155312775

IUPACN-methyl-4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C15H14N4O2S2/c1-16-23(20,21)13-4-2-12(3-5-13)18-15-19-14(10-22-15)11-6-8-17-9-7-11/h2-10,16H,1H3,(H,18,19)
InChIKeyMCBSMZLKULRTJA-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.86
Rot. Bonds5

About N-methyl-4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide

N-methyl-4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide (PubChem CID 155312775) has the molecular formula C15H14N4O2S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-methyl-4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
PubChem CID155312775
Molecular FormulaC15H14N4O2S2
Molecular Weight346.44 g/mol
Exact Mass346.06
IUPAC NameN-methyl-4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C15H14N4O2S2/c1-16-23(20,21)13-4-2-12(3-5-13)18-15-19-14(10-22-15)11-6-8-17-9-7-11/h2-10,16H,1H3,(H,18,19)
InChIKeyMCBSMZLKULRTJA-UHFFFAOYSA-N
XLogP2.86
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide
CID 110504080
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide
CID 110504077
3-chloro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide
CID 110504097
4-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,4-diamine bromide
CID 53346790
4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzoate
CID 3513785
N-(4-fluorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
CID 163328871
4-(dimethylsulfamoyl)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492854
N-methyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 134350753
N-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 17398323
4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
CID 58911132
N-(4-nitrophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine;4-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 158527700
3-methyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]but-2-enamide
CID 110492935

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The IUPAC name of N-methyl-4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide (CID 155312775) is N-methyl-4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide is CNS(=O)(=O)c1ccc(Nc2nc(-c3ccncc3)cs2)cc1.
What is the InChIKey of N-methyl-4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The InChIKey is MCBSMZLKULRTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S2/c1-16-23(20,21)13-4-2-12(3-5-13)18-15-19-14(10-22-15)11-6-8-17-9-7-11/h2-10,16H,1H3,(H,18,19).
What are the key properties of N-methyl-4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
N-methyl-4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide has a molecular weight of 346.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 155312775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).