5-bromo-2-methyl-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride

C10H13BrClNO4S2 — CID 82757797

IUPAC5-bromo-2-methyl-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride
SMILESCc1cc(NS(=O)(=O)C(C)C)c(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H13BrClNO4S2/c1-6(2)19(16,17)13-9-4-7(3)10(5-8(9)11)18(12,14)15/h4-6,13H,1-3H3
InChIKeyHZQMMRGGCICNQJ-UHFFFAOYSA-N
MW390.71 g/mol
LogP2.84
Rot. Bonds4

About 5-bromo-2-methyl-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride

5-bromo-2-methyl-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride (PubChem CID 82757797) has the molecular formula C10H13BrClNO4S2 and a molecular weight of 390.71 g/mol. Its IUPAC name is 5-bromo-2-methyl-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-methyl-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride
PubChem CID82757797
Molecular FormulaC10H13BrClNO4S2
Molecular Weight390.71 g/mol
Exact Mass388.92
IUPAC Name5-bromo-2-methyl-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride
SMILESCc1cc(NS(=O)(=O)C(C)C)c(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H13BrClNO4S2/c1-6(2)19(16,17)13-9-4-7(3)10(5-8(9)11)18(12,14)15/h4-6,13H,1-3H3
InChIKeyHZQMMRGGCICNQJ-UHFFFAOYSA-N
XLogP2.84
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.71
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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5-bromo-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]benzenesulfonyl chloride
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CID 104725034
N-(2-bromophenyl)propane-2-sulfonamide
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N-(2,5-dimethylphenyl)propane-2-sulfonamide
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N-(2-bromo-4-cyanophenyl)propane-2-sulfonamide
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5-bromo-2-methyl-4-(oxolane-3-carbonylamino)benzenesulfonyl chloride
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2-chloro-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride?
The IUPAC name of 5-bromo-2-methyl-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride (CID 82757797) is 5-bromo-2-methyl-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-2-methyl-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-2-methyl-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride is Cc1cc(NS(=O)(=O)C(C)C)c(Br)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-bromo-2-methyl-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride?
The InChIKey is HZQMMRGGCICNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO4S2/c1-6(2)19(16,17)13-9-4-7(3)10(5-8(9)11)18(12,14)15/h4-6,13H,1-3H3.
What are the key properties of 5-bromo-2-methyl-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride?
5-bromo-2-methyl-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride has a molecular weight of 390.71 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 82757797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).