4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide

C16H16BrN3O3S2 — CID 2877282

IUPAC4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide
SMILESBr.COc1ccc(-c2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C16H15N3O3S2.BrH/c1-22-13-6-2-11(3-7-13)15-10-23-16(19-15)18-12-4-8-14(9-5-12)24(17,20)21;/h2-10H,1H3,(H,18,19)(H2,17,20,21);1H
InChIKeyDTACQIWKHSGTQU-UHFFFAOYSA-N
MW442.36 g/mol
LogP3.79
Rot. Bonds5

About 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide

4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide (PubChem CID 2877282) has the molecular formula C16H16BrN3O3S2 and a molecular weight of 442.36 g/mol. Its IUPAC name is 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide.

Molecular Properties

Compound Name4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide
PubChem CID2877282
Molecular FormulaC16H16BrN3O3S2
Molecular Weight442.36 g/mol
Exact Mass440.98
IUPAC Name4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide
SMILESBr.COc1ccc(-c2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C16H15N3O3S2.BrH/c1-22-13-6-2-11(3-7-13)15-10-23-16(19-15)18-12-4-8-14(9-5-12)24(17,20)21;/h2-10H,1H3,(H,18,19)(H2,17,20,21);1H
InChIKeyDTACQIWKHSGTQU-UHFFFAOYSA-N
XLogP3.79
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.36
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

T16AInh-A01
CID 135460621
4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 698943
N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 1548457
2-(4-fluorobenzenesulfonyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 16799558
4-[[4-(3,4-Dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 2928782
4-(4-methoxy-3-methylphenyl)-N-(6-methylpyridin-2-yl)-1,3-thiazol-2-amine
CID 751820
1-(4-(4-Methoxyphenyl)thiazol-2-yl)-3-phenylurea
CID 930415
[4-(4-Methoxy-phenyl)-thiazol-2-yl]-(6-methyl-pyridin-2-yl)-amine
CID 973153
4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 4521790
2-(benzenesulfonyl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 7254450
N-(4-phenoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 873121
4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 1092438

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide?
The IUPAC name of 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide (CID 2877282) is 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide.
What is the SMILES notation for 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide?
The canonical SMILES for 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide is Br.COc1ccc(-c2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1.
What is the InChIKey of 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide?
The InChIKey is DTACQIWKHSGTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2.BrH/c1-22-13-6-2-11(3-7-13)15-10-23-16(19-15)18-12-4-8-14(9-5-12)24(17,20)21;/h2-10H,1H3,(H,18,19)(H2,17,20,21);1H.
What are the key properties of 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide?
4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide has a molecular weight of 442.36 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide is sourced from PubChem (CID 2877282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).