2-amino-4-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide

C10H15BrN2O4S2 — CID 64629578

IUPAC2-amino-4-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
SMILESCC(CS(C)(=O)=O)NS(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C10H15BrN2O4S2/c1-7(6-18(2,14)15)13-19(16,17)10-4-3-8(11)5-9(10)12/h3-5,7,13H,6,12H2,1-2H3
InChIKeyNPAKRBKRTCXIQH-UHFFFAOYSA-N
MW371.28 g/mol
LogP0.74
Rot. Bonds5

About 2-amino-4-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide

2-amino-4-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide (PubChem CID 64629578) has the molecular formula C10H15BrN2O4S2 and a molecular weight of 371.28 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
PubChem CID64629578
Molecular FormulaC10H15BrN2O4S2
Molecular Weight371.28 g/mol
Exact Mass369.97
IUPAC Name2-amino-4-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
SMILESCC(CS(C)(=O)=O)NS(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C10H15BrN2O4S2/c1-7(6-18(2,14)15)13-19(16,17)10-4-3-8(11)5-9(10)12/h3-5,7,13H,6,12H2,1-2H3
InChIKeyNPAKRBKRTCXIQH-UHFFFAOYSA-N
XLogP0.74
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide
CID 43258160
2-amino-4-bromo-N-(1-cyclopropylpropan-2-yl)benzenesulfonamide
CID 63988907
3-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64642680
2-amino-4-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79247565
2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479287
2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498694
2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 62700584
2-amino-4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106281139
2-amino-4-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 61474985
2-amino-4-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181731
N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 63733223
2-amino-N-(1-methylsulfonylpropan-2-yl)-5-nitrobenzenesulfonamide
CID 64644430

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide (CID 64629578) is 2-amino-4-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide is CC(CS(C)(=O)=O)NS(=O)(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide?
The InChIKey is NPAKRBKRTCXIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O4S2/c1-7(6-18(2,14)15)13-19(16,17)10-4-3-8(11)5-9(10)12/h3-5,7,13H,6,12H2,1-2H3.
What are the key properties of 2-amino-4-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide?
2-amino-4-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide has a molecular weight of 371.28 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 64629578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).