4-amino-2-bromo-N-[(4-ethylphenyl)methyl]benzenesulfonamide

C15H17BrN2O2S — CID 106899208

IUPAC4-amino-2-bromo-N-[(4-ethylphenyl)methyl]benzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2ccc(N)cc2Br)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-2-11-3-5-12(6-4-11)10-18-21(19,20)15-8-7-13(17)9-14(15)16/h3-9,18H,2,10,17H2,1H3
InChIKeyFMSGOPQHHJEDES-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.07
Rot. Bonds5

About 4-amino-2-bromo-N-[(4-ethylphenyl)methyl]benzenesulfonamide

4-amino-2-bromo-N-[(4-ethylphenyl)methyl]benzenesulfonamide (PubChem CID 106899208) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 4-amino-2-bromo-N-[(4-ethylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromo-N-[(4-ethylphenyl)methyl]benzenesulfonamide
PubChem CID106899208
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name4-amino-2-bromo-N-[(4-ethylphenyl)methyl]benzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2ccc(N)cc2Br)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-2-11-3-5-12(6-4-11)10-18-21(19,20)15-8-7-13(17)9-14(15)16/h3-9,18H,2,10,17H2,1H3
InChIKeyFMSGOPQHHJEDES-UHFFFAOYSA-N
XLogP3.07
TPSA72.19 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 ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[(4-ethylphenyl)methyl]-2-methylbenzenesulfonamide
CID 106899180
4-amino-2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 62990223
4-amino-2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]benzenesulfonamide
CID 61127182
4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide
CID 43255757
5-amino-2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107229551
5-amino-2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 65202378
4-amino-2-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65039299
2-[(4-amino-2-bromophenyl)sulfonylamino]acetamide
CID 43255728
4-amino-2-bromo-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113479659
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide
CID 107229581
2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 51888410
4-amino-2-bromo-N-(2-hydroxy-2-methylpentyl)benzenesulfonamide
CID 106289563

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-N-[(4-ethylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-bromo-N-[(4-ethylphenyl)methyl]benzenesulfonamide (CID 106899208) is 4-amino-2-bromo-N-[(4-ethylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromo-N-[(4-ethylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-bromo-N-[(4-ethylphenyl)methyl]benzenesulfonamide is CCc1ccc(CNS(=O)(=O)c2ccc(N)cc2Br)cc1.
What is the InChIKey of 4-amino-2-bromo-N-[(4-ethylphenyl)methyl]benzenesulfonamide?
The InChIKey is FMSGOPQHHJEDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-2-11-3-5-12(6-4-11)10-18-21(19,20)15-8-7-13(17)9-14(15)16/h3-9,18H,2,10,17H2,1H3.
What are the key properties of 4-amino-2-bromo-N-[(4-ethylphenyl)methyl]benzenesulfonamide?
4-amino-2-bromo-N-[(4-ethylphenyl)methyl]benzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-N-[(4-ethylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106899208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).