N-[(1R)-1-(3-bromophenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide

C17H20BrNO2S — CID 28560356

IUPACN-[(1R)-1-(3-bromophenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@H](C)c2cccc(Br)c2)c(C)c1
InChIInChI=1S/C17H20BrNO2S/c1-11-8-12(2)17(13(3)9-11)22(20,21)19-14(4)15-6-5-7-16(18)10-15/h5-10,14,19H,1-4H3/t14-/m1/s1
InChIKeyMTVCKOOBZULKSM-CQSZACIVSA-N
MW382.32 g/mol
LogP4.41
Rot. Bonds4

About N-[(1R)-1-(3-bromophenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide

N-[(1R)-1-(3-bromophenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 28560356) has the molecular formula C17H20BrNO2S and a molecular weight of 382.32 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromophenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID28560356
Molecular FormulaC17H20BrNO2S
Molecular Weight382.32 g/mol
Exact Mass381.04
IUPAC NameN-[(1R)-1-(3-bromophenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@H](C)c2cccc(Br)c2)c(C)c1
InChIInChI=1S/C17H20BrNO2S/c1-11-8-12(2)17(13(3)9-11)22(20,21)19-14(4)15-6-5-7-16(18)10-15/h5-10,14,19H,1-4H3/t14-/m1/s1
InChIKeyMTVCKOOBZULKSM-CQSZACIVSA-N
XLogP4.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-1-(3-bromophenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 3700148
2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
CID 63420635
N-[1-(3-bromophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 43874223
4-amino-2,6-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 107863972
N-[(1R)-1-(3-bromophenyl)ethyl]-1-chloromethanesulfonamide
CID 107858585
4-amino-2-bromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
CID 61125800
N-[1-(3-bromophenyl)ethyl]-3-methyl-1-benzofuran-5-sulfonamide
CID 170307652
N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 43874274
2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid
CID 81371672
N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroethanesulfonamide
CID 107858584
5-amino-N-[1-(3-bromophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 61125991
N-[1-(2-methoxyphenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 43874177

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide (CID 28560356) is N-[(1R)-1-(3-bromophenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-(3-bromophenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(1R)-1-(3-bromophenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N[C@H](C)c2cccc(Br)c2)c(C)c1.
What is the InChIKey of N-[(1R)-1-(3-bromophenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is MTVCKOOBZULKSM-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20BrNO2S/c1-11-8-12(2)17(13(3)9-11)22(20,21)19-14(4)15-6-5-7-16(18)10-15/h5-10,14,19H,1-4H3/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromophenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide?
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 382.32 g/mol, XLogP of 4.41, 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]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 28560356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).