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

C15H17BrN2O2S — CID 61107779

IUPAC2-amino-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccc(Br)cc2)c(N)c1
InChIInChI=1S/C15H17BrN2O2S/c1-11-3-8-15(14(17)9-11)21(19,20)18(2)10-12-4-6-13(16)7-5-12/h3-9H,10,17H2,1-2H3
InChIKeyNTQHGELKEDLGDR-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.16
Rot. Bonds4

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

2-amino-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 61107779) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 2-amino-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
PubChem CID61107779
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name2-amino-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccc(Br)cc2)c(N)c1
InChIInChI=1S/C15H17BrN2O2S/c1-11-3-8-15(14(17)9-11)21(19,20)18(2)10-12-4-6-13(16)7-5-12/h3-9H,10,17H2,1-2H3
InChIKeyNTQHGELKEDLGDR-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-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 46567304
N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide
CID 32675568
2-amino-5-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105733
5-amino-N-[(4-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61106294
4-amino-2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 43256596
2-[(4-bromophenyl)methylsulfonyl]-5-methylaniline
CID 81192578
2-amino-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61106855
2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide
CID 43526688
2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 55702998
2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 62333869
2,4-dibromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61216392
2-amino-N-(4-ethylphenyl)-N,4-dimethylbenzenesulfonamide
CID 62003518

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide (CID 61107779) is 2-amino-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)Cc2ccc(Br)cc2)c(N)c1.
What is the InChIKey of 2-amino-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is NTQHGELKEDLGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-11-3-8-15(14(17)9-11)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 2-amino-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide?
2-amino-N-[(4-bromophenyl)methyl]-N,4-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 2-amino-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 61107779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).