1-bromo-N-[2-(3-chlorophenyl)-2-methoxypropyl]methanesulfonamide

C11H15BrClNO3S — CID 90600008

IUPAC1-bromo-N-[2-(3-chlorophenyl)-2-methoxypropyl]methanesulfonamide
SMILESCOC(C)(CNS(=O)(=O)CBr)c1cccc(Cl)c1
InChIInChI=1S/C11H15BrClNO3S/c1-11(17-2,7-14-18(15,16)8-12)9-4-3-5-10(13)6-9/h3-6,14H,7-8H2,1-2H3
InChIKeyHUJGBDCCNXPRGX-UHFFFAOYSA-N
MW356.67 g/mol
LogP2.47
Rot. Bonds6

About 1-bromo-N-[2-(3-chlorophenyl)-2-methoxypropyl]methanesulfonamide

1-bromo-N-[2-(3-chlorophenyl)-2-methoxypropyl]methanesulfonamide (PubChem CID 90600008) has the molecular formula C11H15BrClNO3S and a molecular weight of 356.67 g/mol. Its IUPAC name is 1-bromo-N-[2-(3-chlorophenyl)-2-methoxypropyl]methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-[2-(3-chlorophenyl)-2-methoxypropyl]methanesulfonamide
PubChem CID90600008
Molecular FormulaC11H15BrClNO3S
Molecular Weight356.67 g/mol
Exact Mass354.96
IUPAC Name1-bromo-N-[2-(3-chlorophenyl)-2-methoxypropyl]methanesulfonamide
SMILESCOC(C)(CNS(=O)(=O)CBr)c1cccc(Cl)c1
InChIInChI=1S/C11H15BrClNO3S/c1-11(17-2,7-14-18(15,16)8-12)9-4-3-5-10(13)6-9/h3-6,14H,7-8H2,1-2H3
InChIKeyHUJGBDCCNXPRGX-UHFFFAOYSA-N
XLogP2.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.67
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,6-difluorobenzenesulfonamide
CID 90600032
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-propan-2-ylbenzenesulfonamide
CID 90600039
N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 90600092
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea
CID 90600185
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-[(4-chlorophenyl)methyl]urea
CID 90600204
N'-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600132
N-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600108
N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide
CID 90599834
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea
CID 90600196
N'-[2-(3-chlorophenyl)-2-methoxypropyl]-N-[(2-chlorophenyl)methyl]oxamide
CID 90600151
N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600155
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide
CID 90599881

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[2-(3-chlorophenyl)-2-methoxypropyl]methanesulfonamide?
The IUPAC name of 1-bromo-N-[2-(3-chlorophenyl)-2-methoxypropyl]methanesulfonamide (CID 90600008) is 1-bromo-N-[2-(3-chlorophenyl)-2-methoxypropyl]methanesulfonamide.
What is the SMILES notation for 1-bromo-N-[2-(3-chlorophenyl)-2-methoxypropyl]methanesulfonamide?
The canonical SMILES for 1-bromo-N-[2-(3-chlorophenyl)-2-methoxypropyl]methanesulfonamide is COC(C)(CNS(=O)(=O)CBr)c1cccc(Cl)c1.
What is the InChIKey of 1-bromo-N-[2-(3-chlorophenyl)-2-methoxypropyl]methanesulfonamide?
The InChIKey is HUJGBDCCNXPRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO3S/c1-11(17-2,7-14-18(15,16)8-12)9-4-3-5-10(13)6-9/h3-6,14H,7-8H2,1-2H3.
What are the key properties of 1-bromo-N-[2-(3-chlorophenyl)-2-methoxypropyl]methanesulfonamide?
1-bromo-N-[2-(3-chlorophenyl)-2-methoxypropyl]methanesulfonamide has a molecular weight of 356.67 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[2-(3-chlorophenyl)-2-methoxypropyl]methanesulfonamide is sourced from PubChem (CID 90600008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).