2,2-dibromo-2-(4-chlorophenyl)sulfonylacetamide

C8H6Br2ClNO3S — CID 13344625

IUPAC2,2-dibromo-2-(4-chlorophenyl)sulfonylacetamide
SMILESNC(=O)C(Br)(Br)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C8H6Br2ClNO3S/c9-8(10,7(12)13)16(14,15)6-3-1-5(11)2-4-6/h1-4H,(H2,12,13)
InChIKeyCVHLSLYVCBVXFV-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.04
Rot. Bonds3

About 2,2-dibromo-2-(4-chlorophenyl)sulfonylacetamide

2,2-dibromo-2-(4-chlorophenyl)sulfonylacetamide (PubChem CID 13344625) has the molecular formula C8H6Br2ClNO3S and a molecular weight of 391.47 g/mol. Its IUPAC name is 2,2-dibromo-2-(4-chlorophenyl)sulfonylacetamide.

Molecular Properties

Compound Name2,2-dibromo-2-(4-chlorophenyl)sulfonylacetamide
PubChem CID13344625
Molecular FormulaC8H6Br2ClNO3S
Molecular Weight391.47 g/mol
Exact Mass388.81
IUPAC Name2,2-dibromo-2-(4-chlorophenyl)sulfonylacetamide
SMILESNC(=O)C(Br)(Br)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C8H6Br2ClNO3S/c9-8(10,7(12)13)16(14,15)6-3-1-5(11)2-4-6/h1-4H,(H2,12,13)
InChIKeyCVHLSLYVCBVXFV-UHFFFAOYSA-N
XLogP2.04
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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CID 115048708
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CID 162413949
2,2,2-trichloro-N'-(4-chlorophenyl)sulfonylethanimidamide
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4-chlorobenzenesulfonic acid;hydrazine
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CID 54603804
1-(4-chlorophenyl)sulfonylethanone
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CID 159988924
(4-chlorophenyl)-imino-oxo-(trifluoromethyl)-lambda6-sulfane
CID 15587414
1,4-dichlorobenzene;sulfurochloridic acid
CID 19857624
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
bis(4-chlorobenzenesulfonate);mercury(2+)
CID 22604664

Frequently Asked Questions

What is the IUPAC name of 2,2-dibromo-2-(4-chlorophenyl)sulfonylacetamide?
The IUPAC name of 2,2-dibromo-2-(4-chlorophenyl)sulfonylacetamide (CID 13344625) is 2,2-dibromo-2-(4-chlorophenyl)sulfonylacetamide.
What is the SMILES notation for 2,2-dibromo-2-(4-chlorophenyl)sulfonylacetamide?
The canonical SMILES for 2,2-dibromo-2-(4-chlorophenyl)sulfonylacetamide is NC(=O)C(Br)(Br)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2,2-dibromo-2-(4-chlorophenyl)sulfonylacetamide?
The InChIKey is CVHLSLYVCBVXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2ClNO3S/c9-8(10,7(12)13)16(14,15)6-3-1-5(11)2-4-6/h1-4H,(H2,12,13).
What are the key properties of 2,2-dibromo-2-(4-chlorophenyl)sulfonylacetamide?
2,2-dibromo-2-(4-chlorophenyl)sulfonylacetamide has a molecular weight of 391.47 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-2-(4-chlorophenyl)sulfonylacetamide is sourced from PubChem (CID 13344625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).