N-(2-bromo-4-chlorophenyl)propane-1-sulfinamide

C9H11BrClNOS — CID 130905808

IUPACN-(2-bromo-4-chlorophenyl)propane-1-sulfinamide
SMILESCCCS(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C9H11BrClNOS/c1-2-5-14(13)12-9-4-3-7(11)6-8(9)10/h3-4,6,12H,2,5H2,1H3
InChIKeyZXHWGSXJPWJSHW-UHFFFAOYSA-N
MW296.62 g/mol
LogP3.59
Rot. Bonds4

About N-(2-bromo-4-chlorophenyl)propane-1-sulfinamide

N-(2-bromo-4-chlorophenyl)propane-1-sulfinamide (PubChem CID 130905808) has the molecular formula C9H11BrClNOS and a molecular weight of 296.62 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)propane-1-sulfinamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)propane-1-sulfinamide
PubChem CID130905808
Molecular FormulaC9H11BrClNOS
Molecular Weight296.62 g/mol
Exact Mass294.94
IUPAC NameN-(2-bromo-4-chlorophenyl)propane-1-sulfinamide
SMILESCCCS(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C9H11BrClNOS/c1-2-5-14(13)12-9-4-3-7(11)6-8(9)10/h3-4,6,12H,2,5H2,1H3
InChIKeyZXHWGSXJPWJSHW-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.62
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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methyl 2-(2-bromo-4-chloroanilino)acetate
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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)propane-1-sulfinamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)propane-1-sulfinamide (CID 130905808) is N-(2-bromo-4-chlorophenyl)propane-1-sulfinamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)propane-1-sulfinamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)propane-1-sulfinamide is CCCS(=O)Nc1ccc(Cl)cc1Br.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)propane-1-sulfinamide?
The InChIKey is ZXHWGSXJPWJSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNOS/c1-2-5-14(13)12-9-4-3-7(11)6-8(9)10/h3-4,6,12H,2,5H2,1H3.
What are the key properties of N-(2-bromo-4-chlorophenyl)propane-1-sulfinamide?
N-(2-bromo-4-chlorophenyl)propane-1-sulfinamide has a molecular weight of 296.62 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)propane-1-sulfinamide is sourced from PubChem (CID 130905808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).