N-[(1R)-1-(3-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide

C15H15BrClNO3S — CID 28560380

IUPACN-[(1R)-1-(3-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)c2cccc(Br)c2)cc1Cl
InChIInChI=1S/C15H15BrClNO3S/c1-10(11-4-3-5-12(16)8-11)18-22(19,20)13-6-7-15(21-2)14(17)9-13/h3-10,18H,1-2H3/t10-/m1/s1
InChIKeyVZOFRGNXPCDGOV-SNVBAGLBSA-N
MW404.71 g/mol
LogP4.15
Rot. Bonds5

About N-[(1R)-1-(3-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide

N-[(1R)-1-(3-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide (PubChem CID 28560380) has the molecular formula C15H15BrClNO3S and a molecular weight of 404.71 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide
PubChem CID28560380
Molecular FormulaC15H15BrClNO3S
Molecular Weight404.71 g/mol
Exact Mass402.96
IUPAC NameN-[(1R)-1-(3-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)c2cccc(Br)c2)cc1Cl
InChIInChI=1S/C15H15BrClNO3S/c1-10(11-4-3-5-12(16)8-11)18-22(19,20)13-6-7-15(21-2)14(17)9-13/h3-10,18H,1-2H3/t10-/m1/s1
InChIKeyVZOFRGNXPCDGOV-SNVBAGLBSA-N
XLogP4.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.71
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 43874223
N-[(1S)-1-(4-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 28560375
3-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methoxybenzenesulfonamide
CID 133188828
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3870405
N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 43874274
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]acetamide
CID 92645757
3-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 25044284
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 94861649
(2R)-N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94860886
3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 92675602
3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 37498470
3-iodo-4-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 1294098

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide (CID 28560380) is N-[(1R)-1-(3-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-(3-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(1R)-1-(3-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N[C@H](C)c2cccc(Br)c2)cc1Cl.
What is the InChIKey of N-[(1R)-1-(3-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide?
The InChIKey is VZOFRGNXPCDGOV-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15BrClNO3S/c1-10(11-4-3-5-12(16)8-11)18-22(19,20)13-6-7-15(21-2)14(17)9-13/h3-10,18H,1-2H3/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide?
N-[(1R)-1-(3-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide has a molecular weight of 404.71 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 28560380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).