4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide

C16H15N3O2S2 — CID 2426551

IUPAC4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESCc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1-c1ccccc1
InChIInChI=1S/C16H15N3O2S2/c1-11-15(12-5-3-2-4-6-12)22-16(18-11)19-13-7-9-14(10-8-13)23(17,20)21/h2-10H,1H3,(H,18,19)(H2,17,20,21)
InChIKeyIWFDDAAHCXPQEU-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.51
Rot. Bonds4

About 4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide

4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide (PubChem CID 2426551) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
PubChem CID2426551
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESCc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1-c1ccccc1
InChIInChI=1S/C16H15N3O2S2/c1-11-15(12-5-3-2-4-6-12)22-16(18-11)19-13-7-9-14(10-8-13)23(17,20)21/h2-10H,1H3,(H,18,19)(H2,17,20,21)
InChIKeyIWFDDAAHCXPQEU-UHFFFAOYSA-N
XLogP3.51
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide (CID 2426551) is 4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide is Cc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1-c1ccccc1.
What is the InChIKey of 4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The InChIKey is IWFDDAAHCXPQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-11-15(12-5-3-2-4-6-12)22-16(18-11)19-13-7-9-14(10-8-13)23(17,20)21/h2-10H,1H3,(H,18,19)(H2,17,20,21).
What are the key properties of 4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide has a molecular weight of 345.45 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 2426551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).