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

C17H13BrN2O3S2 — CID 167949281

IUPAC2-(4-bromophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)NS(=O)(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C17H13BrN2O3S2/c18-14-8-6-12(7-9-14)10-15(21)20-25(22,23)16-11-24-17(19-16)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,20,21)
InChIKeySDBIDNUZJREQCA-UHFFFAOYSA-N
MW437.34 g/mol
LogP3.62
Rot. Bonds5

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

2-(4-bromophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide (PubChem CID 167949281) has the molecular formula C17H13BrN2O3S2 and a molecular weight of 437.34 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide
PubChem CID167949281
Molecular FormulaC17H13BrN2O3S2
Molecular Weight437.34 g/mol
Exact Mass435.96
IUPAC Name2-(4-bromophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)NS(=O)(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C17H13BrN2O3S2/c18-14-8-6-12(7-9-14)10-15(21)20-25(22,23)16-11-24-17(19-16)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,20,21)
InChIKeySDBIDNUZJREQCA-UHFFFAOYSA-N
XLogP3.62
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide
CID 166369763
N-(benzenesulfonyl)-2-(4-bromophenyl)acetamide
CID 47108713
2-(4-bromophenyl)-N-thiophen-2-ylsulfonylacetamide
CID 47268843
4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]benzoic acid
CID 167475368
(2-carbamoylphenyl) 2-(4-bromophenyl)-1,3-thiazole-4-sulfonate
CID 52813401
2-[4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]piperidin-1-yl]acetic acid
CID 136533042
2-(4-bromophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108749094
2-(4-bromophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-1,3-thiazole-4-sulfonamide
CID 52909987
N-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)acetamide
CID 56659875
2-(4-bromophenyl)-N-(5-chlorothiophen-2-yl)sulfonylacetamide
CID 47108955
2-(4-bromophenyl)-N-(3-methoxythiophen-2-yl)sulfonylacetamide
CID 155949428
2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide (CID 167949281) is 2-(4-bromophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide is O=C(Cc1ccc(Br)cc1)NS(=O)(=O)c1csc(-c2ccccc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide?
The InChIKey is SDBIDNUZJREQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O3S2/c18-14-8-6-12(7-9-14)10-15(21)20-25(22,23)16-11-24-17(19-16)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,20,21).
What are the key properties of 2-(4-bromophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide?
2-(4-bromophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide has a molecular weight of 437.34 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide is sourced from PubChem (CID 167949281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).