2-amino-5-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide

C14H14Br2N2O2S — CID 61105733

IUPAC2-amino-5-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(Br)cc1)S(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C14H14Br2N2O2S/c1-18(9-10-2-4-11(15)5-3-10)21(19,20)14-8-12(16)6-7-13(14)17/h2-8H,9,17H2,1H3
InChIKeyRWPWLHPYJFBBFK-UHFFFAOYSA-N
MW434.15 g/mol
LogP3.61
Rot. Bonds4

About 2-amino-5-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide

2-amino-5-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 61105733) has the molecular formula C14H14Br2N2O2S and a molecular weight of 434.15 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide
PubChem CID61105733
Molecular FormulaC14H14Br2N2O2S
Molecular Weight434.15 g/mol
Exact Mass431.91
IUPAC Name2-amino-5-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(Br)cc1)S(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C14H14Br2N2O2S/c1-18(9-10-2-4-11(15)5-3-10)21(19,20)14-8-12(16)6-7-13(14)17/h2-8H,9,17H2,1H3
InChIKeyRWPWLHPYJFBBFK-UHFFFAOYSA-N
XLogP3.61
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.15
LogP ≤ 53.61
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-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 61107779
5-amino-N-[(4-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61106294
2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 46567304
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 60986465
N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide
CID 32675568
3-amino-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105920
2,4-dibromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61216392
2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 55702998
4-bromo-2-[(4-bromophenyl)methylsulfonyl]aniline
CID 81206525
2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61139950
2-amino-5-bromo-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63725917
5-bromo-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 55352516

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide (CID 61105733) is 2-amino-5-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide is CN(Cc1ccc(Br)cc1)S(=O)(=O)c1cc(Br)ccc1N.
What is the InChIKey of 2-amino-5-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is RWPWLHPYJFBBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O2S/c1-18(9-10-2-4-11(15)5-3-10)21(19,20)14-8-12(16)6-7-13(14)17/h2-8H,9,17H2,1H3.
What are the key properties of 2-amino-5-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide?
2-amino-5-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 434.15 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 61105733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).