5-[(3-bromophenyl)methylamino]-N,2-dimethylbenzenesulfonamide

C15H17BrN2O2S — CID 43717493

IUPAC5-[(3-bromophenyl)methylamino]-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NCc2cccc(Br)c2)ccc1C
InChIInChI=1S/C15H17BrN2O2S/c1-11-6-7-14(9-15(11)21(19,20)17-2)18-10-12-4-3-5-13(16)8-12/h3-9,17-18H,10H2,1-2H3
InChIKeyQSLRINYTPFSFDZ-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.28
Rot. Bonds5

About 5-[(3-bromophenyl)methylamino]-N,2-dimethylbenzenesulfonamide

5-[(3-bromophenyl)methylamino]-N,2-dimethylbenzenesulfonamide (PubChem CID 43717493) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 5-[(3-bromophenyl)methylamino]-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(3-bromophenyl)methylamino]-N,2-dimethylbenzenesulfonamide
PubChem CID43717493
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name5-[(3-bromophenyl)methylamino]-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NCc2cccc(Br)c2)ccc1C
InChIInChI=1S/C15H17BrN2O2S/c1-11-6-7-14(9-15(11)21(19,20)17-2)18-10-12-4-3-5-13(16)8-12/h3-9,17-18H,10H2,1-2H3
InChIKeyQSLRINYTPFSFDZ-UHFFFAOYSA-N
XLogP3.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-3-[4-methyl-3-(methylsulfamoyl)phenyl]thiourea
CID 9237503
N,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide
CID 43717495
N,2-dimethyl-5-(thiophen-3-ylmethylamino)benzenesulfonamide
CID 43717517
2-(3-bromophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9012584
5-[(2-hydroxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 43717522
N,2-dimethyl-5-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide
CID 66400218
N,2-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 104821897
3-[(3-bromo-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide
CID 105401205
5-[(2-aminophenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 66387661
4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43234682
(E)-3-(3-bromophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]prop-2-enamide
CID 9106995
N-[(3-bromophenyl)methyl]-2-methyl-5-methylsulfonylaniline
CID 43234751

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenyl)methylamino]-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-[(3-bromophenyl)methylamino]-N,2-dimethylbenzenesulfonamide (CID 43717493) is 5-[(3-bromophenyl)methylamino]-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[(3-bromophenyl)methylamino]-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[(3-bromophenyl)methylamino]-N,2-dimethylbenzenesulfonamide is CNS(=O)(=O)c1cc(NCc2cccc(Br)c2)ccc1C.
What is the InChIKey of 5-[(3-bromophenyl)methylamino]-N,2-dimethylbenzenesulfonamide?
The InChIKey is QSLRINYTPFSFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-11-6-7-14(9-15(11)21(19,20)17-2)18-10-12-4-3-5-13(16)8-12/h3-9,17-18H,10H2,1-2H3.
What are the key properties of 5-[(3-bromophenyl)methylamino]-N,2-dimethylbenzenesulfonamide?
5-[(3-bromophenyl)methylamino]-N,2-dimethylbenzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenyl)methylamino]-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 43717493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).