N-(3-bromo-4-chlorophenyl)methanesulfinamide

C7H7BrClNOS — CID 130834465

IUPACN-(3-bromo-4-chlorophenyl)methanesulfinamide
SMILESCS(=O)Nc1ccc(Cl)c(Br)c1
InChIInChI=1S/C7H7BrClNOS/c1-12(11)10-5-2-3-7(9)6(8)4-5/h2-4,10H,1H3
InChIKeyUTTRWGNRDYNHSU-UHFFFAOYSA-N
MW268.56 g/mol
LogP2.81
Rot. Bonds2

About N-(3-bromo-4-chlorophenyl)methanesulfinamide

N-(3-bromo-4-chlorophenyl)methanesulfinamide (PubChem CID 130834465) has the molecular formula C7H7BrClNOS and a molecular weight of 268.56 g/mol. Its IUPAC name is N-(3-bromo-4-chlorophenyl)methanesulfinamide.

Molecular Properties

Compound NameN-(3-bromo-4-chlorophenyl)methanesulfinamide
PubChem CID130834465
Molecular FormulaC7H7BrClNOS
Molecular Weight268.56 g/mol
Exact Mass266.91
IUPAC NameN-(3-bromo-4-chlorophenyl)methanesulfinamide
SMILESCS(=O)Nc1ccc(Cl)c(Br)c1
InChIInChI=1S/C7H7BrClNOS/c1-12(11)10-5-2-3-7(9)6(8)4-5/h2-4,10H,1H3
InChIKeyUTTRWGNRDYNHSU-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

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N-(2-bromo-5-chlorophenyl)methanesulfinamide
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N-(3-amino-4-methylphenyl)methanesulfinamide
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N-(3-bromo-4-chlorophenyl)-N'-tert-butylethane-1,2-diamine
CID 107445847
N-[4-chloro-3-(2-methyl-1-oxoisoquinolin-4-yl)phenyl]methanesulfinamide;hydrate
CID 162317440
methyl 1-(3-bromo-4-chloroanilino)cyclopropane-1-carboxylate
CID 103439462
3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide
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3-bromo-4-chloro-N-(3-methylsulfinylpropyl)benzamide
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3-bromo-4-chloro-N-(3-fluoropropyl)aniline
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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-chlorophenyl)methanesulfinamide?
The IUPAC name of N-(3-bromo-4-chlorophenyl)methanesulfinamide (CID 130834465) is N-(3-bromo-4-chlorophenyl)methanesulfinamide.
What is the SMILES notation for N-(3-bromo-4-chlorophenyl)methanesulfinamide?
The canonical SMILES for N-(3-bromo-4-chlorophenyl)methanesulfinamide is CS(=O)Nc1ccc(Cl)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-chlorophenyl)methanesulfinamide?
The InChIKey is UTTRWGNRDYNHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNOS/c1-12(11)10-5-2-3-7(9)6(8)4-5/h2-4,10H,1H3.
What are the key properties of N-(3-bromo-4-chlorophenyl)methanesulfinamide?
N-(3-bromo-4-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-(3-bromo-4-chlorophenyl)methanesulfinamide is sourced from PubChem (CID 130834465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).