4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide

C15H17BrN2O2S — CID 43234682

IUPAC4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCc2cccc(Br)c2)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-18(2)21(19,20)15-8-6-14(7-9-15)17-11-12-4-3-5-13(16)10-12/h3-10,17H,11H2,1-2H3
InChIKeyJXLHTFBIWJTLJQ-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.31
Rot. Bonds5

About 4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide

4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 43234682) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID43234682
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCc2cccc(Br)c2)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-18(2)21(19,20)15-8-6-14(7-9-15)17-11-12-4-3-5-13(16)10-12/h3-10,17H,11H2,1-2H3
InChIKeyJXLHTFBIWJTLJQ-UHFFFAOYSA-N
XLogP3.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43682539
methyl 2-[4-[(3-bromophenyl)methylamino]phenyl]sulfonylacetate
CID 118910720
4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzamide
CID 43230444
4-[(2-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43425513
N-[(3-bromophenyl)methyl]aniline;hydrochloride
CID 69090735
N-[(3-bromophenyl)methyl]-4-propan-2-ylaniline
CID 29276780
2-[(3-bromophenyl)methoxy]-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 26196212
2-[4-[(3-bromophenyl)methylamino]phenyl]-N-methylacetamide
CID 43713933
5-[(3-bromophenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 43717493
3-amino-5-[(3-bromophenyl)methylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103359527
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
5-[[3-(dimethylsulfamoyl)phenyl]methylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 55566308

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide (CID 43234682) is 4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(NCc2cccc(Br)c2)cc1.
What is the InChIKey of 4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is JXLHTFBIWJTLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-18(2)21(19,20)15-8-6-14(7-9-15)17-11-12-4-3-5-13(16)10-12/h3-10,17H,11H2,1-2H3.
What are the key properties of 4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide?
4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 43234682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).