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

C16H13FN4O3S2 — CID 66553051

IUPAC4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)c1cccc(F)c1
InChIInChI=1S/C16H13FN4O3S2/c17-10-3-1-2-9(8-10)13(22)14-15(18)21-16(25-14)20-11-4-6-12(7-5-11)26(19,23)24/h1-8H,18H2,(H,20,21)(H2,19,23,24)
InChIKeyCJQHODVHGDYGJK-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.49
Rot. Bonds5

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

4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 66553051) has the molecular formula C16H13FN4O3S2 and a molecular weight of 392.44 g/mol. Its IUPAC name is 4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID66553051
Molecular FormulaC16H13FN4O3S2
Molecular Weight392.44 g/mol
Exact Mass392.04
IUPAC Name4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)c1cccc(F)c1
InChIInChI=1S/C16H13FN4O3S2/c17-10-3-1-2-9(8-10)13(22)14-15(18)21-16(25-14)20-11-4-6-12(7-5-11)26(19,23)24/h1-8H,18H2,(H,20,21)(H2,19,23,24)
InChIKeyCJQHODVHGDYGJK-UHFFFAOYSA-N
XLogP2.49
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 66553051) is 4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)c1cccc(F)c1.
What is the InChIKey of 4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is CJQHODVHGDYGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3S2/c17-10-3-1-2-9(8-10)13(22)14-15(18)21-16(25-14)20-11-4-6-12(7-5-11)26(19,23)24/h1-8H,18H2,(H,20,21)(H2,19,23,24).
What are the key properties of 4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 392.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 66553051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).