2,4-dibromo-N-(4-chlorophenyl)sulfonylbenzamide

C13H8Br2ClNO3S — CID 11181788

IUPAC2,4-dibromo-N-(4-chlorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H8Br2ClNO3S/c14-8-1-6-11(12(15)7-8)13(18)17-21(19,20)10-4-2-9(16)3-5-10/h1-7H,(H,17,18)
InChIKeyMXAVKSDRMSOCKE-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.98
Rot. Bonds3

About 2,4-dibromo-N-(4-chlorophenyl)sulfonylbenzamide

2,4-dibromo-N-(4-chlorophenyl)sulfonylbenzamide (PubChem CID 11181788) has the molecular formula C13H8Br2ClNO3S and a molecular weight of 453.54 g/mol. Its IUPAC name is 2,4-dibromo-N-(4-chlorophenyl)sulfonylbenzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(4-chlorophenyl)sulfonylbenzamide
PubChem CID11181788
Molecular FormulaC13H8Br2ClNO3S
Molecular Weight453.54 g/mol
Exact Mass450.83
IUPAC Name2,4-dibromo-N-(4-chlorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H8Br2ClNO3S/c14-8-1-6-11(12(15)7-8)13(18)17-21(19,20)10-4-2-9(16)3-5-10/h1-7H,(H,17,18)
InChIKeyMXAVKSDRMSOCKE-UHFFFAOYSA-N
XLogP3.98
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-4-bromobenzoyl]-4-chlorophenylsulfonamide
CID 10113563
4-bromo-N-(4-chlorophenyl)sulfonyl-2-methylbenzamide
CID 11193260
N-(3-bromophenyl)sulfonyl-2,4-dichlorobenzamide
CID 11200665
N-(4-bromophenyl)sulfonyl-2,4-dichlorobenzamide
CID 11441201
2-bromo-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide
CID 11763954
N-(4-chlorophenyl)sulfonylbenzamide
CID 286220
Benzamide, 4-chloro-N-[(4-chlorophenyl)sulfonyl]-
CID 837182
4-bromo-N-(4-chlorophenyl)sulfonyl-2-fluorobenzamide
CID 11411362
3-chloro-N-(4-chlorophenyl)sulfonylbenzamide
CID 11174891
3-bromo-N-(4-chlorophenyl)sulfonylbenzamide
CID 11245786
2-(3-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide
CID 56659883
2-(4-bromophenyl)-N-(4-chlorophenyl)sulfonylacetamide
CID 56670198

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(4-chlorophenyl)sulfonylbenzamide?
The IUPAC name of 2,4-dibromo-N-(4-chlorophenyl)sulfonylbenzamide (CID 11181788) is 2,4-dibromo-N-(4-chlorophenyl)sulfonylbenzamide.
What is the SMILES notation for 2,4-dibromo-N-(4-chlorophenyl)sulfonylbenzamide?
The canonical SMILES for 2,4-dibromo-N-(4-chlorophenyl)sulfonylbenzamide is O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(4-chlorophenyl)sulfonylbenzamide?
The InChIKey is MXAVKSDRMSOCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2ClNO3S/c14-8-1-6-11(12(15)7-8)13(18)17-21(19,20)10-4-2-9(16)3-5-10/h1-7H,(H,17,18).
What are the key properties of 2,4-dibromo-N-(4-chlorophenyl)sulfonylbenzamide?
2,4-dibromo-N-(4-chlorophenyl)sulfonylbenzamide has a molecular weight of 453.54 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(4-chlorophenyl)sulfonylbenzamide is sourced from PubChem (CID 11181788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).