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

C17H16N4O4S2 — CID 73350412

IUPAC4-[[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESCOc1cccc(C(=O)c2sc(Nc3ccc(S(N)(=O)=O)cc3)nc2N)c1
InChIInChI=1S/C17H16N4O4S2/c1-25-12-4-2-3-10(9-12)14(22)15-16(18)21-17(26-15)20-11-5-7-13(8-6-11)27(19,23)24/h2-9H,18H2,1H3,(H,20,21)(H2,19,23,24)
InChIKeyWGWGFHMTAVZKKS-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.36
Rot. Bonds6

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

4-[[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 73350412) has the molecular formula C17H16N4O4S2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-[[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID73350412
Molecular FormulaC17H16N4O4S2
Molecular Weight404.47 g/mol
Exact Mass404.06
IUPAC Name4-[[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESCOc1cccc(C(=O)c2sc(Nc3ccc(S(N)(=O)=O)cc3)nc2N)c1
InChIInChI=1S/C17H16N4O4S2/c1-25-12-4-2-3-10(9-12)14(22)15-16(18)21-17(26-15)20-11-5-7-13(8-6-11)27(19,23)24/h2-9H,18H2,1H3,(H,20,21)(H2,19,23,24)
InChIKeyWGWGFHMTAVZKKS-UHFFFAOYSA-N
XLogP2.36
TPSA137.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide with MolForge

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Related Compounds

(4-Amino-2-((4-methoxyphenyl)amino)-1,3-thiazol-5-yl)(4-methoxyphenyl)methanone
CID 399618
(4-Amino-2-anilino-1,3-thiazol-5-yl)(4-methoxyphenyl)methanone
CID 399616
[4-Amino-2-[[4-[4-(1-methylethyl)-1-piperazinyl]phenyl]amino]-5-thiazolyl](3-methoxyphenyl)methanone
CID 9933545
(4-Amino-2-anilino-1,3-thiazol-5-yl)(3,4-dimethoxyphenyl)methanone
CID 1512279
{4-Amino-2-[(4-methoxyphenyl)amino]-1,3-thiazol-5-yl}(4-fluorophenyl)methanone
CID 1512476
[4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl](3-Methoxyphenyl)methanone
CID 44250180
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone
CID 2814831
4-Amino-5-benzoyl-2-(4-methoxyphenylamino)thiazole
CID 398017
(4-Amino-2-((4-methoxyphenyl)amino)thiazol-5-yl)(3,4-dimethoxyphenyl)methanone
CID 1512282
(4-Amino-2-anilino-1,3-thiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 20590560
[4-Amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone
CID 44250147
(4-Amino-2-anilino-1,3-thiazol-5-yl)-(2-methoxyphenyl)methanone
CID 44250181

Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 73350412) is 4-[[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is COc1cccc(C(=O)c2sc(Nc3ccc(S(N)(=O)=O)cc3)nc2N)c1.
What is the InChIKey of 4-[[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is WGWGFHMTAVZKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S2/c1-25-12-4-2-3-10(9-12)14(22)15-16(18)21-17(26-15)20-11-5-7-13(8-6-11)27(19,23)24/h2-9H,18H2,1H3,(H,20,21)(H2,19,23,24).
What are the key properties of 4-[[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
4-[[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 404.47 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 73350412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).