3-bromo-4-chloro-N-(1-methylsulfinylpropan-2-yl)benzenesulfonamide

C10H13BrClNO3S2 — CID 106546751

IUPAC3-bromo-4-chloro-N-(1-methylsulfinylpropan-2-yl)benzenesulfonamide
SMILESCC(CS(C)=O)NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H13BrClNO3S2/c1-7(6-17(2)14)13-18(15,16)8-3-4-10(12)9(11)5-8/h3-5,7,13H,6H2,1-2H3
InChIKeyGQZCDFMERQYRMX-UHFFFAOYSA-N
MW374.71 g/mol
LogP2.15
Rot. Bonds5

About 3-bromo-4-chloro-N-(1-methylsulfinylpropan-2-yl)benzenesulfonamide

3-bromo-4-chloro-N-(1-methylsulfinylpropan-2-yl)benzenesulfonamide (PubChem CID 106546751) has the molecular formula C10H13BrClNO3S2 and a molecular weight of 374.71 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(1-methylsulfinylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(1-methylsulfinylpropan-2-yl)benzenesulfonamide
PubChem CID106546751
Molecular FormulaC10H13BrClNO3S2
Molecular Weight374.71 g/mol
Exact Mass372.92
IUPAC Name3-bromo-4-chloro-N-(1-methylsulfinylpropan-2-yl)benzenesulfonamide
SMILESCC(CS(C)=O)NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H13BrClNO3S2/c1-7(6-17(2)14)13-18(15,16)8-3-4-10(12)9(11)5-8/h3-5,7,13H,6H2,1-2H3
InChIKeyGQZCDFMERQYRMX-UHFFFAOYSA-N
XLogP2.15
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.71
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 106546351
3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide
CID 106545028
3-bromo-4-chloro-N-[1-(diethylamino)propan-2-yl]benzenesulfonamide
CID 106612140
3-bromo-4-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
CID 106611588
5-chloro-N-(1-methylsulfinylpropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 113486689
3-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-chlorobenzenesulfonamide
CID 106613118
2-methyl-4-(1-methylsulfinylpropan-2-ylsulfamoyl)benzenecarbothioamide
CID 106920361
(2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid
CID 106605478
3-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 106611673
3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502121
3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide
CID 106612198
3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 8893168

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(1-methylsulfinylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-(1-methylsulfinylpropan-2-yl)benzenesulfonamide (CID 106546751) is 3-bromo-4-chloro-N-(1-methylsulfinylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(1-methylsulfinylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-(1-methylsulfinylpropan-2-yl)benzenesulfonamide is CC(CS(C)=O)NS(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(1-methylsulfinylpropan-2-yl)benzenesulfonamide?
The InChIKey is GQZCDFMERQYRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO3S2/c1-7(6-17(2)14)13-18(15,16)8-3-4-10(12)9(11)5-8/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 3-bromo-4-chloro-N-(1-methylsulfinylpropan-2-yl)benzenesulfonamide?
3-bromo-4-chloro-N-(1-methylsulfinylpropan-2-yl)benzenesulfonamide has a molecular weight of 374.71 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(1-methylsulfinylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106546751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).