N-[(1R)-1-(3-bromophenyl)ethyl]-1-chloromethanesulfonamide

C9H11BrClNO2S — CID 107858585

IUPACN-[(1R)-1-(3-bromophenyl)ethyl]-1-chloromethanesulfonamide
SMILESC[C@@H](NS(=O)(=O)CCl)c1cccc(Br)c1
InChIInChI=1S/C9H11BrClNO2S/c1-7(12-15(13,14)6-11)8-3-2-4-9(10)5-8/h2-5,7,12H,6H2,1H3/t7-/m1/s1
InChIKeyJBMXIDJRJNCQAT-SSDOTTSWSA-N
MW312.62 g/mol
LogP2.63
Rot. Bonds4

About N-[(1R)-1-(3-bromophenyl)ethyl]-1-chloromethanesulfonamide

N-[(1R)-1-(3-bromophenyl)ethyl]-1-chloromethanesulfonamide (PubChem CID 107858585) has the molecular formula C9H11BrClNO2S and a molecular weight of 312.62 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)ethyl]-1-chloromethanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromophenyl)ethyl]-1-chloromethanesulfonamide
PubChem CID107858585
Molecular FormulaC9H11BrClNO2S
Molecular Weight312.62 g/mol
Exact Mass310.94
IUPAC NameN-[(1R)-1-(3-bromophenyl)ethyl]-1-chloromethanesulfonamide
SMILESC[C@@H](NS(=O)(=O)CCl)c1cccc(Br)c1
InChIInChI=1S/C9H11BrClNO2S/c1-7(12-15(13,14)6-11)8-3-2-4-9(10)5-8/h2-5,7,12H,6H2,1H3/t7-/m1/s1
InChIKeyJBMXIDJRJNCQAT-SSDOTTSWSA-N
XLogP2.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.62
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroethanesulfonamide
CID 107858584
2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid
CID 81371672
1-chloro-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 63666225
1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 107858740
3-[[(1R)-1-(3-bromophenyl)ethyl]sulfamoyl]propanoic acid
CID 81371671
N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56513401
4-[[(1R)-1-(3-bromophenyl)ethyl]sulfamoyl]butanoic acid
CID 81371590
N-[1-(3-bromophenyl)ethyl]-2-(cyclopropylamino)ethanesulfonamide
CID 106002819
2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
CID 63420635
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 28560356
1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
CID 63665593
N-[1-(3-bromophenyl)ethyl]-2-methyl-3-methylsulfonylpropan-1-amine
CID 75471654

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-1-chloromethanesulfonamide?
The IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-1-chloromethanesulfonamide (CID 107858585) is N-[(1R)-1-(3-bromophenyl)ethyl]-1-chloromethanesulfonamide.
What is the SMILES notation for N-[(1R)-1-(3-bromophenyl)ethyl]-1-chloromethanesulfonamide?
The canonical SMILES for N-[(1R)-1-(3-bromophenyl)ethyl]-1-chloromethanesulfonamide is C[C@@H](NS(=O)(=O)CCl)c1cccc(Br)c1.
What is the InChIKey of N-[(1R)-1-(3-bromophenyl)ethyl]-1-chloromethanesulfonamide?
The InChIKey is JBMXIDJRJNCQAT-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11BrClNO2S/c1-7(12-15(13,14)6-11)8-3-2-4-9(10)5-8/h2-5,7,12H,6H2,1H3/t7-/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromophenyl)ethyl]-1-chloromethanesulfonamide?
N-[(1R)-1-(3-bromophenyl)ethyl]-1-chloromethanesulfonamide has a molecular weight of 312.62 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-bromophenyl)ethyl]-1-chloromethanesulfonamide is sourced from PubChem (CID 107858585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).