2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)propan-1-amine

C16H18BrNO2S — CID 64647047

IUPAC2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(N)C(C)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H18BrNO2S/c1-11-3-5-13(6-4-11)16(18)12(2)21(19,20)15-9-7-14(17)8-10-15/h3-10,12,16H,18H2,1-2H3
InChIKeyKXEABSZNJXOCKI-UHFFFAOYSA-N
MW368.30 g/mol
LogP3.62
Rot. Bonds4

About 2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)propan-1-amine

2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)propan-1-amine (PubChem CID 64647047) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)propan-1-amine
PubChem CID64647047
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC Name2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(N)C(C)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H18BrNO2S/c1-11-3-5-13(6-4-11)16(18)12(2)21(19,20)15-9-7-14(17)8-10-15/h3-10,12,16H,18H2,1-2H3
InChIKeyKXEABSZNJXOCKI-UHFFFAOYSA-N
XLogP3.62
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)propan-1-amine 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

1-(4-bromophenyl)sulfonyl-4-methylbenzene
CID 11426909
2-(benzenesulfonyl)-1-(4-ethylphenyl)propan-1-amine
CID 62918394
2-methyl-1-(4-propan-2-ylsulfonylphenyl)propan-1-amine
CID 82499664
1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfonyl)propan-1-amine
CID 64647000
N-[(4-bromophenyl)-cyanomethyl]-4-methylbenzenesulfonamide
CID 53465731
1-bromo-4-(difluoromethylsulfonyl)benzene
CID 19959949
ethyl (2R,3R)-2-amino-3-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 11729901
(1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol
CID 59069368
1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane
CID 143485097
2-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide
CID 42962647
3-amino-3-(4-bromophenyl)-2-ethylsulfonylpropan-1-ol
CID 102551068
N-[2-(4-bromophenyl)-1-hydroxyethyl]-4-methylbenzenesulfonamide
CID 102530107

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of 2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)propan-1-amine (CID 64647047) is 2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)propan-1-amine is Cc1ccc(C(N)C(C)S(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)propan-1-amine?
The InChIKey is KXEABSZNJXOCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-11-3-5-13(6-4-11)16(18)12(2)21(19,20)15-9-7-14(17)8-10-15/h3-10,12,16H,18H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)propan-1-amine?
2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)propan-1-amine has a molecular weight of 368.30 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 64647047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).