2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-chlorophenyl)acetamide

C12H10BrClN2O3S2 — CID 15999318

IUPAC2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-chlorophenyl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H10BrClN2O3S2/c13-10-5-6-12(20-10)21(18,19)15-7-11(17)16-9-3-1-8(14)2-4-9/h1-6,15H,7H2,(H,16,17)
InChIKeyIKHLXSGBVITONP-UHFFFAOYSA-N
MW409.71 g/mol
LogP3.08
Rot. Bonds5

About 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-chlorophenyl)acetamide

2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-chlorophenyl)acetamide (PubChem CID 15999318) has the molecular formula C12H10BrClN2O3S2 and a molecular weight of 409.71 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-chlorophenyl)acetamide
PubChem CID15999318
Molecular FormulaC12H10BrClN2O3S2
Molecular Weight409.71 g/mol
Exact Mass407.90
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-chlorophenyl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H10BrClN2O3S2/c13-10-5-6-12(20-10)21(18,19)15-7-11(17)16-9-3-1-8(14)2-4-9/h1-6,15H,7H2,(H,16,17)
InChIKeyIKHLXSGBVITONP-UHFFFAOYSA-N
XLogP3.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.71
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189604
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998754
N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide
CID 6621397
2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 112996218
N-(3,5-dichlorophenyl)-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetamide
CID 113001388
N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 112997887
N-(4-chlorophenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112997960
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 112991518
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylacetamide
CID 15992302
N-(4-acetylphenyl)-2-[(4-chlorophenyl)sulfonylamino]acetamide
CID 112999628
2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(4-fluorophenyl)acetamide
CID 112997718
methyl 2-[[2-[(5-bromothiophen-2-yl)sulfonylamino]acetyl]amino]-2-methylpropanoate
CID 51131047

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-chlorophenyl)acetamide (CID 15999318) is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-chlorophenyl)acetamide is O=C(CNS(=O)(=O)c1ccc(Br)s1)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-chlorophenyl)acetamide?
The InChIKey is IKHLXSGBVITONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O3S2/c13-10-5-6-12(20-10)21(18,19)15-7-11(17)16-9-3-1-8(14)2-4-9/h1-6,15H,7H2,(H,16,17).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-chlorophenyl)acetamide?
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-chlorophenyl)acetamide has a molecular weight of 409.71 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 15999318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).