N-(2-bromo-5-chlorophenyl)methanesulfinamide

C7H7BrClNOS — CID 130762687

IUPACN-(2-bromo-5-chlorophenyl)methanesulfinamide
SMILESCS(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C7H7BrClNOS/c1-12(11)10-7-4-5(9)2-3-6(7)8/h2-4,10H,1H3
InChIKeyPYUJMNQCIOOMNI-UHFFFAOYSA-N
MW268.56 g/mol
LogP2.81
Rot. Bonds2

About N-(2-bromo-5-chlorophenyl)methanesulfinamide

N-(2-bromo-5-chlorophenyl)methanesulfinamide (PubChem CID 130762687) has the molecular formula C7H7BrClNOS and a molecular weight of 268.56 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)methanesulfinamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)methanesulfinamide
PubChem CID130762687
Molecular FormulaC7H7BrClNOS
Molecular Weight268.56 g/mol
Exact Mass266.91
IUPAC NameN-(2-bromo-5-chlorophenyl)methanesulfinamide
SMILESCS(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C7H7BrClNOS/c1-12(11)10-7-4-5(9)2-3-6(7)8/h2-4,10H,1H3
InChIKeyPYUJMNQCIOOMNI-UHFFFAOYSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.56
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-chlorophenyl)hydrazine
CID 58110901
2-bromo-4-chloro-1-methylsulfinylbenzene
CID 132541068
1-(2-bromo-5-chloroanilino)propan-2-ol
CID 81281043
(2R)-1-(2-bromo-5-chloroanilino)propan-2-ol
CID 106932356
N-(3-bromo-4-chlorophenyl)methanesulfinamide
CID 130834465
N-[(2-bromo-5-chlorophenyl)methyl]-2-methylsulfinylethanamine
CID 115660120
N-(2-bromo-5-chlorophenyl)-2-chloropropanamide
CID 81264583
2-(2-bromo-5-chloroanilino)propanamide
CID 81281042
N-(2-bromo-4-chlorophenyl)propane-1-sulfinamide
CID 130905808
2-amino-N-(2-bromo-5-chlorophenyl)propanamide
CID 81270376
N-(2-bromo-5-chlorophenyl)-2-methylbutanamide
CID 81271698
N-(2-bromo-5-chlorophenyl)-2-methylpropane-1-sulfonamide
CID 81273468

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)methanesulfinamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)methanesulfinamide (CID 130762687) is N-(2-bromo-5-chlorophenyl)methanesulfinamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)methanesulfinamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)methanesulfinamide is CS(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)methanesulfinamide?
The InChIKey is PYUJMNQCIOOMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNOS/c1-12(11)10-7-4-5(9)2-3-6(7)8/h2-4,10H,1H3.
What are the key properties of N-(2-bromo-5-chlorophenyl)methanesulfinamide?
N-(2-bromo-5-chlorophenyl)methanesulfinamide has a molecular weight of 268.56 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)methanesulfinamide is sourced from PubChem (CID 130762687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).