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

C17H17N3O4S2 — CID 2230896

IUPAC4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESCOc1ccc(-c2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1OC
InChIInChI=1S/C17H17N3O4S2/c1-23-15-8-3-11(9-16(15)24-2)14-10-25-17(20-14)19-12-4-6-13(7-5-12)26(18,21)22/h3-10H,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyDDDMHYSLQGZBGO-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.22
Rot. Bonds6

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

4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 2230896) has the molecular formula C17H17N3O4S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID2230896
Molecular FormulaC17H17N3O4S2
Molecular Weight391.47 g/mol
Exact Mass391.07
IUPAC Name4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESCOc1ccc(-c2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1OC
InChIInChI=1S/C17H17N3O4S2/c1-23-15-8-3-11(9-16(15)24-2)14-10-25-17(20-14)19-12-4-6-13(7-5-12)26(18,21)22/h3-10H,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyDDDMHYSLQGZBGO-UHFFFAOYSA-N
XLogP3.22
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 2230896) is 4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is COc1ccc(-c2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1OC.
What is the InChIKey of 4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is DDDMHYSLQGZBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S2/c1-23-15-8-3-11(9-16(15)24-2)14-10-25-17(20-14)19-12-4-6-13(7-5-12)26(18,21)22/h3-10H,1-2H3,(H,19,20)(H2,18,21,22).
What are the key properties of 4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 391.47 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 2230896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).