5-amino-N-[(4-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide

C15H17BrN2O2S — CID 61106294

IUPAC5-amino-N-[(4-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-11-3-8-14(17)9-15(11)21(19,20)18(2)10-12-4-6-13(16)7-5-12/h3-9H,10,17H2,1-2H3
InChIKeyHPKBVPZIKMKGIF-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.16
Rot. Bonds4

About 5-amino-N-[(4-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide

5-amino-N-[(4-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide (PubChem CID 61106294) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 5-amino-N-[(4-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[(4-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
PubChem CID61106294
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name5-amino-N-[(4-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-11-3-8-14(17)9-15(11)21(19,20)18(2)10-12-4-6-13(16)7-5-12/h3-9H,10,17H2,1-2H3
InChIKeyHPKBVPZIKMKGIF-UHFFFAOYSA-N
XLogP3.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105733
4-amino-2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 43256596
2-amino-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 61107779
3-amino-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105920
5-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60892303
4-amino-N-[(3-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61125461
2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 46567304
5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271671
N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide
CID 32675568
5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61105357
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylbenzenesulfonamide
CID 63420338
2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 55702998

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-[(4-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide (CID 61106294) is 5-amino-N-[(4-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[(4-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-[(4-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of 5-amino-N-[(4-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide?
The InChIKey is HPKBVPZIKMKGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-11-3-8-14(17)9-15(11)21(19,20)18(2)10-12-4-6-13(16)7-5-12/h3-9H,10,17H2,1-2H3.
What are the key properties of 5-amino-N-[(4-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide?
5-amino-N-[(4-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 61106294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).