2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide

C17H14BrN3O3S2 — CID 41231504

IUPAC2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide
SMILESO=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)Nc1cccc(Br)c1
InChIInChI=1S/C17H14BrN3O3S2/c18-12-5-4-6-13(9-12)19-16(22)10-14-11-25-17(20-14)21-26(23,24)15-7-2-1-3-8-15/h1-9,11H,10H2,(H,19,22)(H,20,21)
InChIKeyIVLGLDPRSBQMBH-UHFFFAOYSA-N
MW452.36 g/mol
LogP3.89
Rot. Bonds6

About 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide

2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide (PubChem CID 41231504) has the molecular formula C17H14BrN3O3S2 and a molecular weight of 452.36 g/mol. Its IUPAC name is 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide
PubChem CID41231504
Molecular FormulaC17H14BrN3O3S2
Molecular Weight452.36 g/mol
Exact Mass450.97
IUPAC Name2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide
SMILESO=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)Nc1cccc(Br)c1
InChIInChI=1S/C17H14BrN3O3S2/c18-12-5-4-6-13(9-12)19-16(22)10-14-11-25-17(20-14)21-26(23,24)15-7-2-1-3-8-15/h1-9,11H,10H2,(H,19,22)(H,20,21)
InChIKeyIVLGLDPRSBQMBH-UHFFFAOYSA-N
XLogP3.89
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.36
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide
CID 41231527
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 16802205
methyl 2-[2-[(3-bromophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 43624485
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 108802061
2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]butanedioic acid
CID 108789088
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methoxy-3-nitrophenyl)acetamide
CID 108789180
N-[4-[2-[3-(methylsulfamoyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 46468648
N-(3,5-dimethylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 18572007
2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 18571965
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-phenylphenyl)acetamide
CID 171343778
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(2-hydroxy-4-nitrophenyl)acetamide
CID 108802071
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 108789115

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide?
The IUPAC name of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide (CID 41231504) is 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide.
What is the SMILES notation for 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide?
The canonical SMILES for 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide is O=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)Nc1cccc(Br)c1.
What is the InChIKey of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide?
The InChIKey is IVLGLDPRSBQMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O3S2/c18-12-5-4-6-13(9-12)19-16(22)10-14-11-25-17(20-14)21-26(23,24)15-7-2-1-3-8-15/h1-9,11H,10H2,(H,19,22)(H,20,21).
What are the key properties of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide?
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide has a molecular weight of 452.36 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide is sourced from PubChem (CID 41231504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).