5-bromo-2-methyl-4-(propylsulfonylamino)benzenesulfonyl chloride

C10H13BrClNO4S2 — CID 82757619

IUPAC5-bromo-2-methyl-4-(propylsulfonylamino)benzenesulfonyl chloride
SMILESCCCS(=O)(=O)Nc1cc(C)c(S(=O)(=O)Cl)cc1Br
InChIInChI=1S/C10H13BrClNO4S2/c1-3-4-18(14,15)13-9-5-7(2)10(6-8(9)11)19(12,16)17/h5-6,13H,3-4H2,1-2H3
InChIKeyLMIRWUWEEJCHOG-UHFFFAOYSA-N
MW390.71 g/mol
LogP2.84
Rot. Bonds5

About 5-bromo-2-methyl-4-(propylsulfonylamino)benzenesulfonyl chloride

5-bromo-2-methyl-4-(propylsulfonylamino)benzenesulfonyl chloride (PubChem CID 82757619) has the molecular formula C10H13BrClNO4S2 and a molecular weight of 390.71 g/mol. Its IUPAC name is 5-bromo-2-methyl-4-(propylsulfonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-methyl-4-(propylsulfonylamino)benzenesulfonyl chloride
PubChem CID82757619
Molecular FormulaC10H13BrClNO4S2
Molecular Weight390.71 g/mol
Exact Mass388.92
IUPAC Name5-bromo-2-methyl-4-(propylsulfonylamino)benzenesulfonyl chloride
SMILESCCCS(=O)(=O)Nc1cc(C)c(S(=O)(=O)Cl)cc1Br
InChIInChI=1S/C10H13BrClNO4S2/c1-3-4-18(14,15)13-9-5-7(2)10(6-8(9)11)19(12,16)17/h5-6,13H,3-4H2,1-2H3
InChIKeyLMIRWUWEEJCHOG-UHFFFAOYSA-N
XLogP2.84
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

5-bromo-2-methyl-4-(2-methylpropylsulfonylamino)benzenesulfonyl chloride
CID 82756936
5-bromo-2-methyl-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride
CID 82757797
5-bromo-2-methyl-4-(2-methylpentanoylamino)benzenesulfonyl chloride
CID 82757618
2-bromo-4-(propylsulfonylamino)benzenesulfonyl chloride
CID 43103495
5-bromo-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]benzenesulfonyl chloride
CID 82757191
N-(5-bromo-4-fluoro-2-methylphenyl)propane-1-sulfonamide
CID 107592659
N-(2-bromo-5-chloro-4-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106078956
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloropropane-1-sulfonamide
CID 104725031
N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide
CID 116816507
N-(2-bromo-5-chloro-4-methylphenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106078934
N-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide
CID 110776836
N-(2,6-dibromo-4-methylphenyl)propane-1-sulfonamide
CID 60640320

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-4-(propylsulfonylamino)benzenesulfonyl chloride?
The IUPAC name of 5-bromo-2-methyl-4-(propylsulfonylamino)benzenesulfonyl chloride (CID 82757619) is 5-bromo-2-methyl-4-(propylsulfonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-2-methyl-4-(propylsulfonylamino)benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-2-methyl-4-(propylsulfonylamino)benzenesulfonyl chloride is CCCS(=O)(=O)Nc1cc(C)c(S(=O)(=O)Cl)cc1Br.
What is the InChIKey of 5-bromo-2-methyl-4-(propylsulfonylamino)benzenesulfonyl chloride?
The InChIKey is LMIRWUWEEJCHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO4S2/c1-3-4-18(14,15)13-9-5-7(2)10(6-8(9)11)19(12,16)17/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 5-bromo-2-methyl-4-(propylsulfonylamino)benzenesulfonyl chloride?
5-bromo-2-methyl-4-(propylsulfonylamino)benzenesulfonyl chloride has a molecular weight of 390.71 g/mol, XLogP of 2.84, 5 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-(propylsulfonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 82757619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).