N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroethanesulfonamide

C10H13BrClNO2S — CID 107858584

IUPACN-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroethanesulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCl)c1cccc(Br)c1
InChIInChI=1S/C10H13BrClNO2S/c1-8(13-16(14,15)6-5-12)9-3-2-4-10(11)7-9/h2-4,7-8,13H,5-6H2,1H3/t8-/m1/s1
InChIKeyVAPRMZVXXMSWPU-MRVPVSSYSA-N
MW326.64 g/mol
LogP2.67
Rot. Bonds5

About N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroethanesulfonamide

N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroethanesulfonamide (PubChem CID 107858584) has the molecular formula C10H13BrClNO2S and a molecular weight of 326.64 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroethanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroethanesulfonamide
PubChem CID107858584
Molecular FormulaC10H13BrClNO2S
Molecular Weight326.64 g/mol
Exact Mass324.95
IUPAC NameN-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroethanesulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCl)c1cccc(Br)c1
InChIInChI=1S/C10H13BrClNO2S/c1-8(13-16(14,15)6-5-12)9-3-2-4-10(11)7-9/h2-4,7-8,13H,5-6H2,1H3/t8-/m1/s1
InChIKeyVAPRMZVXXMSWPU-MRVPVSSYSA-N
XLogP2.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.64
LogP ≤ 52.67
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]-1-chloromethanesulfonamide
CID 107858585
2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]ethanesulfonamide
CID 107858739
3-[[(1R)-1-(3-bromophenyl)ethyl]sulfamoyl]propanoic acid
CID 81371671
4-[[(1R)-1-(3-bromophenyl)ethyl]sulfamoyl]butanoic acid
CID 81371590
2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid
CID 81371672
2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]ethanesulfonamide
CID 107651305
N-[1-(3-bromophenyl)ethyl]-2-(cyclopropylamino)ethanesulfonamide
CID 106002819
3-chloro-N-[(1R)-1-(3-methylphenyl)ethyl]propane-1-sulfonamide
CID 107858598
N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56513401
2-chloro-N-[(1S)-1-pyridin-3-ylethyl]ethanesulfonamide
CID 107858694
2-chloro-N-(1-pyridin-4-ylethyl)ethanesulfonamide
CID 107650505
2-chloro-N-[(1S)-1-pyridin-4-ylethyl]ethanesulfonamide
CID 107858762

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroethanesulfonamide?
The IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroethanesulfonamide (CID 107858584) is N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroethanesulfonamide.
What is the SMILES notation for N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroethanesulfonamide?
The canonical SMILES for N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroethanesulfonamide is C[C@@H](NS(=O)(=O)CCCl)c1cccc(Br)c1.
What is the InChIKey of N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroethanesulfonamide?
The InChIKey is VAPRMZVXXMSWPU-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13BrClNO2S/c1-8(13-16(14,15)6-5-12)9-3-2-4-10(11)7-9/h2-4,7-8,13H,5-6H2,1H3/t8-/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroethanesulfonamide?
N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroethanesulfonamide has a molecular weight of 326.64 g/mol, XLogP of 2.67, 5 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]-2-chloroethanesulfonamide is sourced from PubChem (CID 107858584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).