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

C17H13F3N4O3S2 — CID 71662565

IUPAC4-[[4-amino-5-[3-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N4O3S2/c18-17(19,20)10-3-1-2-9(8-10)13(25)14-15(21)24-16(28-14)23-11-4-6-12(7-5-11)29(22,26)27/h1-8H,21H2,(H,23,24)(H2,22,26,27)
InChIKeyUOERTPBGHFVTHS-UHFFFAOYSA-N
MW442.44 g/mol
LogP3.37
Rot. Bonds5

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

4-[[4-amino-5-[3-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 71662565) has the molecular formula C17H13F3N4O3S2 and a molecular weight of 442.44 g/mol. Its IUPAC name is 4-[[4-amino-5-[3-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-amino-5-[3-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID71662565
Molecular FormulaC17H13F3N4O3S2
Molecular Weight442.44 g/mol
Exact Mass442.04
IUPAC Name4-[[4-amino-5-[3-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N4O3S2/c18-17(19,20)10-3-1-2-9(8-10)13(25)14-15(21)24-16(28-14)23-11-4-6-12(7-5-11)29(22,26)27/h1-8H,21H2,(H,23,24)(H2,22,26,27)
InChIKeyUOERTPBGHFVTHS-UHFFFAOYSA-N
XLogP3.37
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl](Phenyl)methanone
CID 936046
{4-Amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone
CID 1504410
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone
CID 2814150
4-{[4-Amino-5-(4-Sulfamoylbenzoyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide
CID 66553048
4-{[4-Amino-5-(3-Fluorobenzoyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide
CID 66553051
4-{[4-Amino-5-(2-Nitrobenzoyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide
CID 66553053
4-{[4-Amino-5-(3-Aminobenzoyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide
CID 66553071
4-{[4-Amino-5-(3-Nitrobenzoyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide
CID 73347325
4-[(4-Amino-5-Benzoyl-1,3-Thiazol-2-Yl)amino]benzenesulfonamide
CID 73354900
[4-Amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 931219
[4-Amino-2-(4-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 13616280
4-{[4-Amino-5-(Naphthalen-2-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide
CID 66553068

Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-5-[3-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-amino-5-[3-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 71662565) is 4-[[4-amino-5-[3-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-amino-5-[3-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-amino-5-[3-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide is Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-[[4-amino-5-[3-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is UOERTPBGHFVTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O3S2/c18-17(19,20)10-3-1-2-9(8-10)13(25)14-15(21)24-16(28-14)23-11-4-6-12(7-5-11)29(22,26)27/h1-8H,21H2,(H,23,24)(H2,22,26,27).
What are the key properties of 4-[[4-amino-5-[3-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?
4-[[4-amino-5-[3-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 442.44 g/mol, XLogP of 3.37, 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-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 71662565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).